Consensus flow list

Identity

Type
Neutral molecule
CAS
25339-53-1
EC
246-870-7
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for Decene

Alternative labels

1

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string AFFLGGQVNFXPEV-UHFFFAOYSA-N, YKNMBTZOEVIJCM-HWKANZROSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C10H20/c1-3-5-7-9-10-8-6-4-2/h3H,1,4-10H2,2H3
IUPAC name chemrof:IUPAC_name Decene
Molecular formula chemrof:molecular_formula C10H20
SMILES string chemrof:smiles_string C=CCCCCCCCC

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=20063-97-2 enrich_references.pubchem_identifier_url
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=25339-53-1 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.042.595 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=1735 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID70891927 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J45.099E enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J97.368H enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/5364559 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#1993 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q63396272 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Decene enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
eff7a4bc-2437-4d71-8251-5a06b1abb5e1 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
6192dd5f-77ea-49b1-b2b7-e64633e7f17a Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
11d8ca38-3917-4297-986c-528fe8862c65 Environmental → Air → Indoor EF 3.1 kg 4
adc4a41d-b0c5-4f74-936a-d039ce82056c Environmental → Air → Long-term EF 3.1 kg 0
b3964525-3897-4dfc-8ddb-cf788ac4de88 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
e860a519-3f64-401c-a692-4a007490ba56 Environmental → Air → Unknown EF 3.1 kg 4
a492af9f-60a1-45ce-9b1d-444e4f18c855 Environmental → Ground → Agricultural EF 3.1 kg 4
aac517c7-ea46-4909-bd61-240493ac4e02 Environmental → Ground → Non-agricultural EF 3.1 kg 4
8804246b-656e-4039-8207-e0e58f411652 Environmental → Ground → Unknown EF 3.1 kg 4
f6df74d2-e3b3-4a9d-9e60-352a5c629caa Environmental → Water → Long-term EF 3.1 kg 0
aaa90964-03f7-42e6-8cbb-22ae529828b5 Environmental → Water → Ocean EF 3.1 kg 4
fb2d544d-cfb8-4ad0-843b-e1ed6b829bbe Environmental → Water → Surface water EF 3.1 kg 4
2cd7e25a-13f2-4d33-a73f-91b9ffdc5f70 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-40086a27aa837ee0",
  "prefLabel": [
    {
      "@value": "Decene",
      "@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": "n-Decene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:25339-53-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=25339-53-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C10H20"
      ],
      "attested_by": {
        "C10H20": [
          "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:5364559"
          ],
          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C=CCCCCCCCC"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "AFFLGGQVNFXPEV-UHFFFAOYSA-N",
        "YKNMBTZOEVIJCM-HWKANZROSA-N"
      ],
      "attested_by": {
        "YKNMBTZOEVIJCM-HWKANZROSA-N": [
          "enrich_references.pubchem_semantic"
        ],
        "AFFLGGQVNFXPEV-UHFFFAOYSA-N": [
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "InChIKey",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
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            "CID:5364559"
          ],
          "prov:wasDerivedFrom": "pubchem.props.InChIKey"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C=CCCCCCCCC"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
        "C=CCCCCCCCC"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Decene"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C=CCCCCCCCC"
          ]
        }
      ],
      "attested_by": {
        "C=CCCCCCCCC": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/C10H20/c1-3-5-7-9-10-8-6-4-2/h3H,1,4-10H2,2H3"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Decene"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C=CCCCCCCCC"
          ]
        }
      ],
      "attested_by": {
        "InChI=1S/C10H20/c1-3-5-7-9-10-8-6-4-2/h3H,1,4-10H2,2H3": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
        "Decene"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "opsin_iupac",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "Decene"
        ]
      },
      "attested_by": {
        "Decene": [
          "opsin_iupac"
        ]
      }
    }
  },
  "references": [
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J45.099E",
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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        ],
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      }
    },
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      }
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    },
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    },
    {
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      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[25339-53-1]"
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    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=25339-53-1",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "25339-53-1"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
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    },
    {
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        "prov:wasDerivedFrom": "pubchem.identifiers[25339-53-1]"
      }
    },
    {
      "@id": "https://en.wikipedia.org/wiki/Decene",
      "provenance": {
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        ],
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    {
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  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "11d8ca38-3917-4297-986c-528fe8862c65",
    "seed_source": "EF 3.1",
    "semantic_typing": {
      "rule": "neutral_molecule",
      "reason": "",
      "types": [
        "https://w3id.org/chemrof/NeutralMolecule"
      ],
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:wasDerivedFrom": "semantic_typing.rule.neutral_molecule"
      }
    }
  },
  "classifications": {
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      "@value": [
        "25339-53-1"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=25339-53-1"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
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          "@id": "https://commonchemistry.cas.org/detail?cas_rn=25339-53-1"
        }
      ],
      "provenance": {
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        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    "http://semanticscience.org/resource/CHEMINF_000447": {
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      ],
      "rdfs:seeAlso": [
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      ],
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "ec_numbers"
      }
    }
  },
  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

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