Brightway Flows 1.0
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6-methylquinoline

fo-ec19f4719179d5d3

Identity

Type
Neutral molecule
CAS
91-62-3
EC
202-084-6
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 6-methylquinoline

Alternative labels

1

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string LUYISICIYVKBTA-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C10H9N/c1-8-4-5-10-9(7-8)3-2-6-11-10/h2-7H,1H3
IUPAC name chemrof:IUPAC_name 6-methylquinoline
Molecular formula chemrof:molecular_formula C10H9N
Molecular mass chemrof:molecular_mass 143.189
Monoisotopic mass chemrof:monoisotopic_mass 143.073499
SMILES string chemrof:smiles_string Cc1ccc2ncccc2c1

Known URLs

13

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=91-62-3 enrich_references.consensus_cas_link
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:140761 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.001.895 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID3020887 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=4152 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1412508 enrich_references.pubchem_identifier_url
femaflavor.org https://www.femaflavor.org/flavor-library/6-methylquinoline enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/K14453I13N enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0033115 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J800A enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=45890 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/7059 enrich_references.pubchem_compound
Wikidata https://www.wikidata.org/wiki/Q27281809 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
da16cc42-d61d-43fd-97b1-8102c107cc02 Environmental → Air → Aircraft cruise height EF 3.1 kg 0
dde120df-88c0-4bdf-8456-5dd10cd0fe83 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 0
964e2abb-00f6-4319-9ba1-1e409b4174fe Environmental → Air → Indoor EF 3.1 kg 0
626d8200-f55f-4157-9c9f-d7b605f05774 Environmental → Air → Long-term EF 3.1 kg 0
c7396844-c4c9-45cd-a9ad-58b287d76eee Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 0
910ea8c1-d31f-4283-8845-d32614d29ee5 Environmental → Air → Unknown EF 3.1 kg 0
e6aabef3-7fbf-41d8-8fdb-5f36d2a2c58f Environmental → Ground → Agricultural EF 3.1 kg 0
f44adf84-ec1d-41ca-aedc-6d502fe6b784 Environmental → Ground → Non-agricultural EF 3.1 kg 0
a605d82a-7fd5-430b-a019-d9f618cb3463 Environmental → Ground → Unknown EF 3.1 kg 0
fde99b7d-0b14-402b-bb01-ca229467b745 Environmental → Water → Long-term EF 3.1 kg 0
b749062f-338e-4ee3-ba9a-6397af6a6c90 Environmental → Water → Ocean EF 3.1 kg 0
7cf0521f-3563-49fa-88db-6627cf184938 Environmental → Water → Surface water EF 3.1 kg 0
ad63aa34-7041-478c-9c16-1bde6587f0af Environmental → Water → Unknown EF 3.1 kg 0

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-ec19f4719179d5d3",
  "prefLabel": [
    {
      "@value": "6-methylquinoline",
      "@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": "Quinoline, 6-methyl-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CAS:91-62-3",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=91-62-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C10H9N"
      ],
      "attested_by": {
        "C10H9N": [
          "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:7059"
          ],
          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "brightway-flows",
          "prov:hadPrimarySource": [
            "Cc1ccc2ncccc2c1"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "LUYISICIYVKBTA-UHFFFAOYSA-N"
      ],
      "attested_by": {
        "LUYISICIYVKBTA-UHFFFAOYSA-N": [
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      },
      "rdfs:label": "InChIKey",
      "provenance": [
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          "prov:wasDerivedFrom": "pubchem.props.InChIKey"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "brightway-flows",
          "prov:hadPrimarySource": [
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          ]
        }
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    },
    "https://w3id.org/chemrof/smiles_string": {
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      "rdfs:label": "SMILES",
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      "provenance": [
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        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "brightway-flows",
          "prov:hadPrimarySource": [
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          ]
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      ],
      "attested_by": {
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          "opsin_iupac",
          "rdkit_post_consensus"
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      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
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      "rdfs:label": "InChI",
      "@value": [
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      ],
      "provenance": [
        {
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        },
        {
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      "attested_by": {
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        ]
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
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      "rdfs:label": "IUPAC name",
      "@value": [
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      "provenance": {
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        ]
      },
      "attested_by": {
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        ]
      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "rdfs:label": "Molecular mass",
      "@value": [
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      ],
      "provenance": [
        {
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          "prov:hadPrimarySource": [
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          ]
        },
        {
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          "prov:wasAttributedTo": "brightway-flows",
          "prov:hadPrimarySource": [
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          ]
        }
      ],
      "attested_by": {
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        ]
      },
      "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": [
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      ],
      "provenance": [
        {
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          "prov:hadPrimarySource": [
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          ]
        },
        {
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          "prov:wasAttributedTo": "brightway-flows",
          "prov:hadPrimarySource": [
            "Cc1ccc2ncccc2c1"
          ]
        }
      ],
      "attested_by": {
        "143.073499": [
          "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=J800A",
      "provenance": {
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      }
    },
    {
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    },
    {
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    {
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    },
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    },
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        "prov:wasDerivedFrom": "pubchem.identifiers[91-62-3]"
      }
    },
    {
      "@id": "https://www.femaflavor.org/flavor-library/6-methylquinoline",
      "provenance": {
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    },
    {
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  ],
  "created_from": {
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    "seed_uuid": "626d8200-f55f-4157-9c9f-d7b605f05774",
    "seed_source": "EF 3.1",
    "semantic_typing": {
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      "reason": "",
      "types": [
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      ],
      "provenance": {
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        "prov:wasAttributedTo": "brightway-flows",
        "prov:wasDerivedFrom": "semantic_typing.rule.neutral_molecule"
      }
    }
  },
  "classifications": {
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      "rdfs:seeAlso": [
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      "http://www.w3.org/2004/02/skos/core#exactMatch": [
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      "provenance": {
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        "prov:wasDerivedFrom": "ec_numbers"
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  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

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