Brightway Flows 1.0
GitHub

9,10-dihydrophenanthrene

fo-7245df1096cf870c

Identity

Type
Neutral molecule
CAS
776-35-2
EC
212-278-2
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for 9,10-dihydrophenanthrene

Alternative labels

1

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string XXPBFNVKTVJZKF-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C14H12/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13/h1-8H,9-10H2
IUPAC name chemrof:IUPAC_name 9,10-dihydrophenanthrene
Molecular formula chemrof:molecular_formula C14H12
Molecular mass chemrof:molecular_mass 180.25
Monoisotopic mass chemrof:monoisotopic_mass 180.0939
SMILES string chemrof:smiles_string c1ccc2c(c1)CCc1ccccc1-2

Known URLs

11

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=776-35-2 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.011.162 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID20228264 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=60018 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL2407181 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/BRM9TU2F34 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J12.473G enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=128851 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/13058 enrich_references.pubchem_compound
Wikidata https://www.wikidata.org/wiki/Q27274840 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Dihydrophenanthrenes enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
e52bf62a-af5b-40cd-8986-4eca34716c41 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
b0e8af58-aa88-4f23-87ab-946b9b8b051b Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
e2903d9d-5059-4992-bc5a-a3be4310fee1 Environmental → Air → Indoor EF 3.1 kg 2
1828f907-3084-4516-be2d-d435f429e9e3 Environmental → Air → Long-term EF 3.1 kg 0
8c1cfb57-8fbc-41ff-a80d-db267083fe85 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
795092cd-5002-46f2-b7a5-c27b4b1743e4 Environmental → Air → Unknown EF 3.1 kg 2
3010ad17-0813-42d2-8460-cf5ee5f13103 Environmental → Ground → Agricultural EF 3.1 kg 2
5653b084-f3f3-4914-a40b-83b3b98d4ca8 Environmental → Ground → Non-agricultural EF 3.1 kg 2
80b0fef9-fd87-4271-ba69-072bea099424 Environmental → Ground → Unknown EF 3.1 kg 2
ecf26d5e-e0e3-4fc5-87c1-2bfb3667a065 Environmental → Water → Long-term EF 3.1 kg 0
8dbd8b34-f407-4d90-95cf-88840153e798 Environmental → Water → Ocean EF 3.1 kg 2
6ea75c31-fe25-45f1-aeaf-398c8ae764c5 Environmental → Water → Surface water EF 3.1 kg 2
2814a777-2e76-4019-b328-3e03eb28d7b6 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-7245df1096cf870c",
  "prefLabel": [
    {
      "@value": "9,10-dihydrophenanthrene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "Phenanthrene, 9,10-dihydro-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CAS:776-35-2",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=776-35-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C14H12"
      ],
      "attested_by": {
        "C14H12": [
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "Molecular formula",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "brightway-flows",
          "prov:hadPrimarySource": [
            "CID:13058"
          ],
          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "brightway-flows",
          "prov:hadPrimarySource": [
            "c1ccc2c(c1)CCc1ccccc1-2"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "XXPBFNVKTVJZKF-UHFFFAOYSA-N"
      ],
      "attested_by": {
        "XXPBFNVKTVJZKF-UHFFFAOYSA-N": [
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "InChIKey",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "brightway-flows",
          "prov:hadPrimarySource": [
            "CID:13058"
          ],
          "prov:wasDerivedFrom": "pubchem.props.InChIKey"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "brightway-flows",
          "prov:hadPrimarySource": [
            "c1ccc2c(c1)CCc1ccccc1-2"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
        "c1ccc2c(c1)CCc1ccccc1-2"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "brightway-flows",
          "prov:hadPrimarySource": [
            "9,10-dihydrophenanthrene"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "brightway-flows",
          "prov:hadPrimarySource": [
            "c1ccc2c(c1)CCc1ccccc1-2"
          ]
        }
      ],
      "attested_by": {
        "c1ccc2c(c1)CCc1ccccc1-2": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/C14H12/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13/h1-8H,9-10H2"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "brightway-flows",
          "prov:hadPrimarySource": [
            "9,10-dihydrophenanthrene"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "brightway-flows",
          "prov:hadPrimarySource": [
            "c1ccc2c(c1)CCc1ccccc1-2"
          ]
        }
      ],
      "attested_by": {
        "InChI=1S/C14H12/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13/h1-8H,9-10H2": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
        "9,10-dihydrophenanthrene"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "opsin_iupac",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "9,10-dihydrophenanthrene"
        ]
      },
      "attested_by": {
        "9,10-dihydrophenanthrene": [
          "opsin_iupac"
        ]
      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "rdfs:label": "Molecular mass",
      "@value": [
        180.25
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "brightway-flows",
          "prov:hadPrimarySource": [
            "C1CC2=CC=CC=C2C3=CC=CC=C31"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "brightway-flows",
          "prov:hadPrimarySource": [
            "c1ccc2c(c1)CCc1ccccc1-2"
          ]
        }
      ],
      "attested_by": {
        "180.25": [
          "rdkit_post_consensus",
          "rdkit_pre_consensus"
        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
      "@id": "https://w3id.org/chemrof/monoisotopic_mass",
      "rdfs:label": "Monoisotopic mass",
      "@value": [
        180.0939
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "brightway-flows",
          "prov:hadPrimarySource": [
            "C1CC2=CC=CC=C2C3=CC=CC=C31"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "brightway-flows",
          "prov:hadPrimarySource": [
            "c1ccc2c(c1)CCc1ccccc1-2"
          ]
        }
      ],
      "attested_by": {
        "180.0939": [
          "rdkit_post_consensus",
          "rdkit_pre_consensus"
        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    }
  },
  "references": [
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J12.473G",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CID:13058;CAS:776-35-2"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[776-35-2]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.011.162",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CID:13058;CAS:776-35-2"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[776-35-2]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=776-35-2",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CID:13058;CAS:776-35-2"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[776-35-2]"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID20228264",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CID:13058;CAS:776-35-2"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[776-35-2]"
      }
    },
    {
      "@id": "https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=60018",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CID:13058;CAS:776-35-2"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[776-35-2]"
      }
    },
    {
      "@id": "https://en.wikipedia.org/wiki/Dihydrophenanthrenes",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CID:13058;CAS:776-35-2"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[776-35-2]"
      }
    },
    {
      "@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/BRM9TU2F34",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CID:13058;CAS:776-35-2"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[776-35-2]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/13058",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CID:13058;CAS:776-35-2"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[776-35-2]"
      }
    },
    {
      "@id": "https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL2407181",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CID:13058;CAS:776-35-2"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[776-35-2]"
      }
    },
    {
      "@id": "https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=128851",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CID:13058;CAS:776-35-2"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[776-35-2]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q27274840",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CID:13058;CAS:776-35-2"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[776-35-2]"
      }
    }
  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "1828f907-3084-4516-be2d-d435f429e9e3",
    "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": "brightway-flows",
        "prov:wasDerivedFrom": "semantic_typing.rule.neutral_molecule"
      }
    }
  },
  "classifications": {
    "http://semanticscience.org/resource/CHEMINF_000446": {
      "@value": [
        "776-35-2"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=776-35-2"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=776-35-2"
        }
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    "http://semanticscience.org/resource/CHEMINF_000447": {
      "@value": [
        "212-278-2"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=212-278-2"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "brightway-flows",
        "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"
  ]
}

Something wrong here?

You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works

Keyboard

?
Show or hide this map
/
Focus search
Esc
Close