Consensus flow list

1,7,7-trimethylbicyclo[2.2.1]hept-2-yl Methacrylate

fo-1042fb98933d4c27

Identity

Type
NeutralMolecule
CAS
7534-94-3
EC
231-403-1
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for 1,7,7-trimethylbicyclo[2.2.1]hept-2-yl Methacrylate

This substance carries 2 candidate structures; the diagram is the first one RDKit could parse, not a settled answer.

Alternative labels

20

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string IAXXETNIOYFMLW-COPLHBTASA-N, IAXXETNIOYFMLW-GYSYKLTISA-N, IAXXETNIOYFMLW-JENJKZFGSA-N, IAXXETNIOYFMLW-MGULZYLOSA-N, IAXXETNIOYFMLW-MJVIPROJSA-N, IAXXETNIOYFMLW-PEMBBPQUSA-N, IAXXETNIOYFMLW-WDMOLILDSA-N, OCOWAJIFMFUJDB-ANJKJNMZSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C14H22O2/c1-9(2)12(15)16-11-8-10-6-7-14(11,5)13(10,3)4/h10-11H,1,6-8H2,2-5H3/t10-,11-,14+/m1/s1
Isomeric SMILES string chemrof:isomeric_smiles_string C=C(C)C(=O)O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C
IUPAC name chemrof:IUPAC_name 2-Propenoic acid, 2-methyl-, (1R,2R,4R)-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl ester, rel-
Molecular formula chemrof:molecular_formula C14H22O2
SMILES string chemrof:smiles_string C=C(C)C(=O)OC1CC2CCC1(C)C2(C)C

Known URLs

24

Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.

Resource URL Recorded by
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=64114-51-8 enrich_references.pubchem_identifier_url
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=7534-94-3 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.028.549 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID10860016 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID40943487 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID9027653 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3183838 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/33GSY5DKCQ enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.006.658A enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.006.659J enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J304.038K enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J43.144C enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/117661741 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/146159675 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/172717 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/23350408 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/23451536 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/24153 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/71311141 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/73357653 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/904857 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27256271 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q72484974 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q72496080 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
4ee4d821-a6ab-42fe-8012-d4ba3433dc4e Environmental → Air → Aircraft cruise height EF 3.1 kg 4
3b511891-65d1-411a-84a2-dee8c1750ed6 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
8ddd61e3-1224-46c8-a29d-7eafeb472861 Environmental → Air → Indoor EF 3.1 kg 4
f305ef8e-d75c-4268-8fd9-14a7f5fd9e98 Environmental → Air → Long-term EF 3.1 kg 0
b2454b2e-3c9d-4b1c-8bdf-b878fb05a277 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
089d65f3-0878-4157-82c0-36662c0a6123 Environmental → Air → Unknown EF 3.1 kg 4
33c8c822-5244-4177-844a-c89956bc46f7 Environmental → Ground → Agricultural EF 3.1 kg 4
937763fc-6041-4e29-9b52-35ea7ec45eb5 Environmental → Ground → Non-agricultural EF 3.1 kg 4
627607a0-25ec-46d1-a06a-f7bcf474f436 Environmental → Ground → Unknown EF 3.1 kg 4
38878912-a7f3-40c5-8a0f-49993b8a73bc Environmental → Water → Long-term EF 3.1 kg 0
e6a5fa16-02d4-43a1-ae9f-fadd07d3fe40 Environmental → Water → Ocean EF 3.1 kg 4
c450f413-bb7d-4298-961b-7cdfc93e826a Environmental → Water → Surface water EF 3.1 kg 4
abc80237-8f60-4029-b790-fe612db6848e Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-1042fb98933d4c27",
  "prefLabel": [
    {
      "@value": "1,7,7-trimethylbicyclo[2.2.1]hept-2-yl Methacrylate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "2-Propenoic acid, 2-methyl-, (1R,2R,4R)-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl ester, rel-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:7534-94-3",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=7534-94-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Propenoic acid, 2-methyl-, 1,7,7-trimethylbicyclo[2.2.1]hept-2-yl ester, exo-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:7534-94-3",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=7534-94-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Acryester IBX",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:7534-94-3",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=7534-94-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Ageflex IBOMA",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:7534-94-3",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=7534-94-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Eternal EM 90",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:7534-94-3",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=7534-94-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "IB-X",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:7534-94-3",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=7534-94-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "IBOMA",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:7534-94-3",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=7534-94-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "IBXMA",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:7534-94-3",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=7534-94-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Isoborneol methacrylate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:7534-94-3",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=7534-94-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Isobornyl methacrylate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:7534-94-3",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=7534-94-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Light Ester IB-X",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:7534-94-3",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=7534-94-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Light Ester IB-XM",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:7534-94-3",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=7534-94-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Methacrylic acid, isobornyl ester",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:7534-94-3",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=7534-94-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "NK Ester IB",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:7534-94-3",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=7534-94-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "rel-(1R,2R,4R)-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl 2-methyl-2-propenoate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:7534-94-3",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=7534-94-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Sipomer IBOMA",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:7534-94-3",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=7534-94-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Sipomer IBOMA-HP",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:7534-94-3",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=7534-94-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "SR 423NS",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:7534-94-3",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=7534-94-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Visiomer IBOMA",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:7534-94-3",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=7534-94-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Visiomer Terra IBOMA",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:7534-94-3",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=7534-94-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C14H22O2"
      ],
      "attested_by": {
        "C14H22O2": [
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "Molecular formula",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:24153",
            "CID:172717",
            "CID:904857",
            "CID:23350408",
            "CID:23451536",
            "CID:71311141",
            "CID:73357653",
            "CID:117661741",
            "CID:146159675"
          ],
          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C=C(C)C(=O)O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "IAXXETNIOYFMLW-COPLHBTASA-N",
        "IAXXETNIOYFMLW-GYSYKLTISA-N",
        "IAXXETNIOYFMLW-JENJKZFGSA-N",
        "IAXXETNIOYFMLW-MGULZYLOSA-N",
        "IAXXETNIOYFMLW-MJVIPROJSA-N",
        "IAXXETNIOYFMLW-PEMBBPQUSA-N",
        "IAXXETNIOYFMLW-WDMOLILDSA-N",
        "OCOWAJIFMFUJDB-ANJKJNMZSA-N"
      ],
      "attested_by": {
        "IAXXETNIOYFMLW-COPLHBTASA-N": [
          "enrich_references.pubchem_semantic"
        ],
        "IAXXETNIOYFMLW-GYSYKLTISA-N": [
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ],
        "IAXXETNIOYFMLW-JENJKZFGSA-N": [
          "enrich_references.pubchem_semantic"
        ],
        "IAXXETNIOYFMLW-MGULZYLOSA-N": [
          "enrich_references.pubchem_semantic"
        ],
        "IAXXETNIOYFMLW-MJVIPROJSA-N": [
          "enrich_references.pubchem_semantic"
        ],
        "IAXXETNIOYFMLW-PEMBBPQUSA-N": [
          "enrich_references.pubchem_semantic"
        ],
        "IAXXETNIOYFMLW-WDMOLILDSA-N": [
          "enrich_references.pubchem_semantic"
        ],
        "OCOWAJIFMFUJDB-ANJKJNMZSA-N": [
          "enrich_references.pubchem_semantic"
        ]
      },
      "rdfs:label": "InChIKey",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:24153",
            "CID:172717",
            "CID:904857",
            "CID:23350408",
            "CID:23451536",
            "CID:71311141",
            "CID:73357653",
            "CID:117661741",
            "CID:146159675"
          ],
          "prov:wasDerivedFrom": "pubchem.props.InChIKey"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C=C(C)C(=O)O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
        "C=C(C)C(=O)OC1CC2CCC1(C)C2(C)C"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "2-Propenoic acid, 2-methyl-, (1R,2R,4R)-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl ester, rel-"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C=C(C)C(=O)O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C"
          ]
        },
        {
          "prov:wasGeneratedBy": "semantic_typing.classify",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C=C(C)C(=O)O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C"
          ],
          "prov:wasDerivedFrom": "smiles_string.stereochemistry_removed"
        }
      ],
      "attested_by": {
        "C=C(C)C(=O)O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/C14H22O2/c1-9(2)12(15)16-11-8-10-6-7-14(11,5)13(10,3)4/h10-11H,1,6-8H2,2-5H3/t10-,11-,14+/m1/s1"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "2-Propenoic acid, 2-methyl-, (1R,2R,4R)-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl ester, rel-"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C=C(C)C(=O)O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C"
          ]
        }
      ],
      "attested_by": {
        "InChI=1S/C14H22O2/c1-9(2)12(15)16-11-8-10-6-7-14(11,5)13(10,3)4/h10-11H,1,6-8H2,2-5H3/t10-,11-,14+/m1/s1": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
        "2-Propenoic acid, 2-methyl-, (1R,2R,4R)-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl ester, rel-"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "opsin_iupac",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "2-Propenoic acid, 2-methyl-, (1R,2R,4R)-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl ester, rel-"
        ]
      },
      "attested_by": {
        "2-Propenoic acid, 2-methyl-, (1R,2R,4R)-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl ester, rel-": [
          "opsin_iupac"
        ]
      }
    },
    "https://w3id.org/chemrof/isomeric_smiles_string": {
      "rdfs:label": "isomeric smiles string",
      "@value": [
        "C=C(C)C(=O)O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "2-Propenoic acid, 2-methyl-, (1R,2R,4R)-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl ester, rel-"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C=C(C)C(=O)O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C"
          ]
        },
        {
          "prov:wasGeneratedBy": "semantic_typing.classify",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:wasDerivedFrom": "smiles_string"
        }
      ]
    }
  },
  "references": [
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.006.658A",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:172717;CAS:7534-94-3"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[7534-94-3]"
      }
    },
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.006.659J",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:904857;CAS:7534-94-3"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[7534-94-3]"
      }
    },
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J304.038K",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:23451536;CAS:7534-94-3"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[7534-94-3]"
      }
    },
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J43.144C",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:24153;CAS:7534-94-3"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[7534-94-3]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.028.549",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:24153;CAS:7534-94-3"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[7534-94-3]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=64114-51-8",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:172717;CAS:7534-94-3"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[7534-94-3]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=7534-94-3",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "7534-94-3"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID10860016",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:24153;CAS:7534-94-3"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[7534-94-3]"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID40943487",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:904857;CAS:7534-94-3"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[7534-94-3]"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID9027653",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:172717;CAS:7534-94-3"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[7534-94-3]"
      }
    },
    {
      "@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/33GSY5DKCQ",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:904857;CAS:7534-94-3"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[7534-94-3]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/117661741",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:117661741;CAS:7534-94-3"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[7534-94-3]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/146159675",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:146159675;CAS:7534-94-3"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[7534-94-3]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/172717",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:172717;CAS:7534-94-3"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[7534-94-3]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/23350408",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:23350408;CAS:7534-94-3"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[7534-94-3]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/23451536",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:23451536;CAS:7534-94-3"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[7534-94-3]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/24153",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:24153;CAS:7534-94-3"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[7534-94-3]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/71311141",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:71311141;CAS:7534-94-3"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[7534-94-3]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/73357653",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:73357653;CAS:7534-94-3"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[7534-94-3]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/904857",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:904857;CAS:7534-94-3"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[7534-94-3]"
      }
    },
    {
      "@id": "https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3183838",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:904857;CAS:7534-94-3"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[7534-94-3]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q27256271",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:904857;CAS:7534-94-3"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[7534-94-3]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q72484974",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:904857;CAS:7534-94-3"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[7534-94-3]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q72496080",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:24153;CAS:7534-94-3"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[7534-94-3]"
      }
    }
  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "089d65f3-0878-4157-82c0-36662c0a6123",
    "seed_source": "EF 3.1",
    "semantic_typing": {
      "rule": "neutral_molecule",
      "reason": "",
      "types": [
        "https://w3id.org/chemrof/NeutralMolecule"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "semantic_typing.classify",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:wasDerivedFrom": "semantic_typing.rule.neutral_molecule"
      }
    }
  },
  "classifications": {
    "http://semanticscience.org/resource/CHEMINF_000446": {
      "@value": [
        "7534-94-3"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=7534-94-3"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=7534-94-3"
        }
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    "http://semanticscience.org/resource/CHEMINF_000447": {
      "@value": [
        "231-403-1"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=231-403-1"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "ec_numbers"
      }
    }
  },
  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

Keyboard

?
Show or hide this map
Esc
Close

More as the sections are built.