← Back to consensus flow objects

4-methylheptane

Flow Object IDfo-dbbcbba4c5cc1b11
TypeConsensus
prefLabel
Label Language
4-methylheptane en
Alt Labels
Label Language Provenance
Heptane, 4-methyl- en —
NSC 73953 en —
Definitions
Language Value Provenance
en A branched C8 alkane, comprising heptane with a methyl group attached at C-4. It has been found in Amaranth seeds.
CAS Numbers589-53-7
EC Numbers209-650-1
Changes Applied24

Properties

Predicate Value
Formal charge 0
InChIKey CHBAWFGIXDBEBT-UHFFFAOYSA-N
InChI InChI=1S/C8H18/c1-4-6-8(3)7-5-2/h8H,4-7H2,1-3H3
IUPAC name 4-methylheptane
Molecular formula C8H18
Molecular mass 114.232
Monoisotopic mass 114.14085
SMILES CCCC(C)CCC

References

Linked Elementary Flows

UUID Source Unit Context LCIA Factors Consensus Changes
0d7a88f4… EF 3.1 kg Environmental → Air → Aircraft cruise height 0 2
08a91e70… EF 3.1 kg Environmental → Air → Ground level → Rural (<1000 people/square mile) 0 2
08a91e70… EF 3.1 kg Environmental → Air → Ground level → Urban (>1000 people/square mile) 0 2
08a91e70… EF 3.1 kg Environmental → Air → High stack, >150 meters 0 2
08a91e70… EF 3.1 kg Environmental → Air → Unknown 0 2
0d7a88f2… EF 3.1 kg Environmental → Ground → Agricultural 0 2
0d7a88f5… EF 3.1 kg Environmental → Ground → Unknown 0 2
0d7a88f6… EF 3.1 kg Environmental → Water → Ocean 0 2
0d7a88f3… EF 3.1 kg Environmental → Water → Surface water 0 2
0d7a88f8… EF 3.1 kg Environmental → Water → Unknown 0 2
▶

Changes Applied
Elementary Flow Field Old Value New Value Comment
08a91e70… altLabel — [{"@value":"Heptane, 4-methyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:589-53-7","https://commonchemistry.cas.org/detail?cas_rn=589-53-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"NSC 73953","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:589-53-7","https://commonchemistry.cas.org/detail?cas_rn=589-53-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=4-methylheptane||dimension=Environmental > media=Air > strata=Unknown; cas=589-53-7; added Common Chemistry CAS names as altLabel: Heptane, 4-methyl-, NSC 73953; object_uuid=fo-dbbcbba4c5cc1b11
08a91e70… cas_match_labels — {"589-53-7":"exactMatch"} group_key=4-methylheptane||dimension=Environmental > media=Air > strata=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'589-53-7': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-dbbcbba4c5cc1b11: {'589-53-7': 'exactMatch'}
08a91e70… altLabel — [{"@value":"Heptane, 4-methyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:589-53-7","https://commonchemistry.cas.org/detail?cas_rn=589-53-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"NSC 73953","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:589-53-7","https://commonchemistry.cas.org/detail?cas_rn=589-53-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=4-methylheptane||dimension=Environmental > media=Air > strata=Unknown; cas=589-53-7; added Common Chemistry CAS names as altLabel: Heptane, 4-methyl-, NSC 73953; object_uuid=fo-dbbcbba4c5cc1b11
08a91e70… cas_match_labels — {"589-53-7":"exactMatch"} group_key=4-methylheptane||dimension=Environmental > media=Air > strata=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'589-53-7': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-dbbcbba4c5cc1b11: {'589-53-7': 'exactMatch'}
08a91e70… altLabel — [{"@value":"Heptane, 4-methyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:589-53-7","https://commonchemistry.cas.org/detail?cas_rn=589-53-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"NSC 73953","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:589-53-7","https://commonchemistry.cas.org/detail?cas_rn=589-53-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=4-methylheptane||dimension=Environmental > media=Air > strata=Unknown; cas=589-53-7; added Common Chemistry CAS names as altLabel: Heptane, 4-methyl-, NSC 73953; object_uuid=fo-dbbcbba4c5cc1b11
08a91e70… cas_match_labels — {"589-53-7":"exactMatch"} group_key=4-methylheptane||dimension=Environmental > media=Air > strata=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'589-53-7': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-dbbcbba4c5cc1b11: {'589-53-7': 'exactMatch'}
08a91e70… altLabel — [{"@value":"Heptane, 4-methyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:589-53-7","https://commonchemistry.cas.org/detail?cas_rn=589-53-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"NSC 73953","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:589-53-7","https://commonchemistry.cas.org/detail?cas_rn=589-53-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=4-methylheptane||dimension=Environmental > media=Air > strata=Unknown; cas=589-53-7; added Common Chemistry CAS names as altLabel: Heptane, 4-methyl-, NSC 73953; object_uuid=fo-dbbcbba4c5cc1b11
08a91e70… cas_match_labels — {"589-53-7":"exactMatch"} group_key=4-methylheptane||dimension=Environmental > media=Air > strata=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'589-53-7': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-dbbcbba4c5cc1b11: {'589-53-7': 'exactMatch'}
0d7a88f2… altLabel — [{"@value":"Heptane, 4-methyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:589-53-7","https://commonchemistry.cas.org/detail?cas_rn=589-53-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"NSC 73953","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:589-53-7","https://commonchemistry.cas.org/detail?cas_rn=589-53-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=4-methylheptane||dimension=Environmental > media=Air > strata=Unknown; cas=589-53-7; added Common Chemistry CAS names as altLabel: Heptane, 4-methyl-, NSC 73953; object_uuid=fo-dbbcbba4c5cc1b11
0d7a88f2… cas_match_labels — {"589-53-7":"exactMatch"} group_key=4-methylheptane||dimension=Environmental > media=Air > strata=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'589-53-7': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-dbbcbba4c5cc1b11: {'589-53-7': 'exactMatch'}
0d7a88f3… altLabel — [{"@value":"Heptane, 4-methyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:589-53-7","https://commonchemistry.cas.org/detail?cas_rn=589-53-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"NSC 73953","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:589-53-7","https://commonchemistry.cas.org/detail?cas_rn=589-53-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=4-methylheptane||dimension=Environmental > media=Air > strata=Unknown; cas=589-53-7; added Common Chemistry CAS names as altLabel: Heptane, 4-methyl-, NSC 73953; object_uuid=fo-dbbcbba4c5cc1b11
0d7a88f3… cas_match_labels — {"589-53-7":"exactMatch"} group_key=4-methylheptane||dimension=Environmental > media=Air > strata=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'589-53-7': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-dbbcbba4c5cc1b11: {'589-53-7': 'exactMatch'}
0d7a88f4… altLabel — [{"@value":"Heptane, 4-methyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:589-53-7","https://commonchemistry.cas.org/detail?cas_rn=589-53-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"NSC 73953","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:589-53-7","https://commonchemistry.cas.org/detail?cas_rn=589-53-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=4-methylheptane||dimension=Environmental > media=Air > strata=Unknown; cas=589-53-7; added Common Chemistry CAS names as altLabel: Heptane, 4-methyl-, NSC 73953; object_uuid=fo-dbbcbba4c5cc1b11
0d7a88f4… cas_match_labels — {"589-53-7":"exactMatch"} group_key=4-methylheptane||dimension=Environmental > media=Air > strata=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'589-53-7': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-dbbcbba4c5cc1b11: {'589-53-7': 'exactMatch'}
0d7a88f5… altLabel — [{"@value":"Heptane, 4-methyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:589-53-7","https://commonchemistry.cas.org/detail?cas_rn=589-53-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"NSC 73953","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:589-53-7","https://commonchemistry.cas.org/detail?cas_rn=589-53-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=4-methylheptane||dimension=Environmental > media=Air > strata=Unknown; cas=589-53-7; added Common Chemistry CAS names as altLabel: Heptane, 4-methyl-, NSC 73953; object_uuid=fo-dbbcbba4c5cc1b11
0d7a88f5… cas_match_labels — {"589-53-7":"exactMatch"} group_key=4-methylheptane||dimension=Environmental > media=Air > strata=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'589-53-7': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-dbbcbba4c5cc1b11: {'589-53-7': 'exactMatch'}
0d7a88f6… altLabel — [{"@value":"Heptane, 4-methyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:589-53-7","https://commonchemistry.cas.org/detail?cas_rn=589-53-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"NSC 73953","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:589-53-7","https://commonchemistry.cas.org/detail?cas_rn=589-53-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=4-methylheptane||dimension=Environmental > media=Air > strata=Unknown; cas=589-53-7; added Common Chemistry CAS names as altLabel: Heptane, 4-methyl-, NSC 73953; object_uuid=fo-dbbcbba4c5cc1b11
0d7a88f6… cas_match_labels — {"589-53-7":"exactMatch"} group_key=4-methylheptane||dimension=Environmental > media=Air > strata=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'589-53-7': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-dbbcbba4c5cc1b11: {'589-53-7': 'exactMatch'}
0d7a88f7… altLabel — [{"@value":"Heptane, 4-methyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:589-53-7","https://commonchemistry.cas.org/detail?cas_rn=589-53-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"NSC 73953","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:589-53-7","https://commonchemistry.cas.org/detail?cas_rn=589-53-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=4-methylheptane||dimension=Environmental > media=Air > strata=Unknown; cas=589-53-7; added Common Chemistry CAS names as altLabel: Heptane, 4-methyl-, NSC 73953; object_uuid=fo-dbbcbba4c5cc1b11
0d7a88f7… cas_match_labels — {"589-53-7":"exactMatch"} group_key=4-methylheptane||dimension=Environmental > media=Air > strata=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'589-53-7': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-dbbcbba4c5cc1b11: {'589-53-7': 'exactMatch'}
0d7a88f8… altLabel — [{"@value":"Heptane, 4-methyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:589-53-7","https://commonchemistry.cas.org/detail?cas_rn=589-53-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"NSC 73953","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:589-53-7","https://commonchemistry.cas.org/detail?cas_rn=589-53-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=4-methylheptane||dimension=Environmental > media=Air > strata=Unknown; cas=589-53-7; added Common Chemistry CAS names as altLabel: Heptane, 4-methyl-, NSC 73953; object_uuid=fo-dbbcbba4c5cc1b11
0d7a88f8… cas_match_labels — {"589-53-7":"exactMatch"} group_key=4-methylheptane||dimension=Environmental > media=Air > strata=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'589-53-7': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-dbbcbba4c5cc1b11: {'589-53-7': 'exactMatch'}
0d7a88f9… altLabel — [{"@value":"Heptane, 4-methyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:589-53-7","https://commonchemistry.cas.org/detail?cas_rn=589-53-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"NSC 73953","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:589-53-7","https://commonchemistry.cas.org/detail?cas_rn=589-53-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=4-methylheptane||dimension=Environmental > media=Air > strata=Unknown; cas=589-53-7; added Common Chemistry CAS names as altLabel: Heptane, 4-methyl-, NSC 73953; object_uuid=fo-dbbcbba4c5cc1b11
0d7a88f9… cas_match_labels — {"589-53-7":"exactMatch"} group_key=4-methylheptane||dimension=Environmental > media=Air > strata=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'589-53-7': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-dbbcbba4c5cc1b11: {'589-53-7': 'exactMatch'}

Flow Object JSON

{
  "flow_object_id": "fo-dbbcbba4c5cc1b11",
  "prefLabel": [
    {
      "@value": "4-methylheptane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "prefLabel"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "Heptane, 4-methyl-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "altLabel"
      }
    },
    {
      "@value": "NSC 73953",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "altLabel"
      }
    }
  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C8H18"
      ],
      "rdfs:label": "Molecular formula",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.chebi_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "http://purl.obolibrary.org/obo/CHEBI_67193"
          ],
          "prov:wasDerivedFrom": "chebi.basic_property_values.generalized_empirical_formula"
        },
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:11512"
          ],
          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
        "CCCC(C)CCC"
      ],
      "rdfs:label": "SMILES",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.chebi_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "http://purl.obolibrary.org/obo/CHEBI_67193"
          ],
          "prov:wasDerivedFrom": "chebi.basic_property_values.smiles_string"
        },
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:11512"
          ],
          "prov:wasDerivedFrom": "pubchem.props.SMILES"
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "@value": [
        "InChI=1S/C8H18/c1-4-6-8(3)7-5-2/h8H,4-7H2,1-3H3"
      ],
      "rdfs:label": "InChI",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.chebi_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "http://purl.obolibrary.org/obo/CHEBI_67193"
          ],
          "prov:wasDerivedFrom": "chebi.basic_property_values.inchi_string"
        },
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:11512"
          ],
          "prov:wasDerivedFrom": "pubchem.props.InChI"
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "CHBAWFGIXDBEBT-UHFFFAOYSA-N"
      ],
      "rdfs:label": "InChIKey",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.chebi_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "http://purl.obolibrary.org/obo/CHEBI_67193"
          ],
          "prov:wasDerivedFrom": "chebi.basic_property_values.inchi_key_string"
        },
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:11512"
          ],
          "prov:wasDerivedFrom": "pubchem.props.InChIKey"
        }
      ]
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "@value": [
        "114.232"
      ],
      "rdfs:label": "Molecular mass",
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.chebi_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "http://purl.obolibrary.org/obo/CHEBI_67193"
        ],
        "prov:wasDerivedFrom": "chebi.basic_property_values.mass"
      }
    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
      "@id": "https://w3id.org/chemrof/monoisotopic_mass",
      "@value": [
        "114.14085"
      ],
      "rdfs:label": "Monoisotopic mass",
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.chebi_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "http://purl.obolibrary.org/obo/CHEBI_67193"
        ],
        "prov:wasDerivedFrom": "chebi.basic_property_values.monoisotopic_mass"
      }
    },
    "https://w3id.org/chemrof/formal_charge": {
      "@id": "https://w3id.org/chemrof/formal_charge",
      "@value": [
        "0"
      ],
      "rdfs:label": "Formal charge",
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/NUM",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.chebi_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "http://purl.obolibrary.org/obo/CHEBI_67193"
        ],
        "prov:wasDerivedFrom": "chebi.basic_property_values.charge"
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "@value": [
        "4-methylheptane"
      ],
      "rdfs:label": "IUPAC name",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:11512"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers.IUPAC Name"
      }
    }
  },
  "references": [
    {
      "@id": "agr:IND44083881",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.chebi_xrefs",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "http://purl.obolibrary.org/obo/CHEBI_67193"
        ],
        "prov:wasDerivedFrom": "chebi.xrefs_urls"
      }
    },
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J43.432I",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:11512;CAS:589-53-7"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[589-53-7]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.008.774",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:11512;CAS:589-53-7"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[589-53-7]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=589-53-7",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.chebi_xrefs",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "http://purl.obolibrary.org/obo/CHEBI_67193"
        ],
        "prov:wasDerivedFrom": "chebi.xrefs_urls"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID6060428",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:11512;CAS:589-53-7"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[589-53-7]"
      }
    },
    {
      "@id": "https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=73953",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:11512;CAS:589-53-7"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[589-53-7]"
      }
    },
    {
      "@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/N6BX267ALB",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:11512;CAS:589-53-7"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[589-53-7]"
      }
    },
    {
      "@id": "https://lipidmaps.org/databases/lmsd/LMFA11000608",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:11512;CAS:589-53-7"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[589-53-7]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/11512",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:11512;CAS:589-53-7"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[589-53-7]"
      }
    },
    {
      "@id": "https://pubmed.ncbi.nlm.nih.gov/15527361",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.chebi_xrefs",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "http://purl.obolibrary.org/obo/CHEBI_67193"
        ],
        "prov:wasDerivedFrom": "chebi.xrefs_urls"
      }
    },
    {
      "@id": "https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:67193",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.chebi_id_link",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "http://purl.obolibrary.org/obo/CHEBI_67193"
        ],
        "prov:wasDerivedFrom": "chebi.id"
      }
    },
    {
      "@id": "https://www.lipidmaps.org/databases/lmsd/LMFA11000608",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.chebi_xrefs",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "http://purl.obolibrary.org/obo/CHEBI_67193"
        ],
        "prov:wasDerivedFrom": "chebi.xrefs_urls"
      }
    },
    {
      "@id": "https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=5303",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:11512;CAS:589-53-7"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[589-53-7]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q2816677",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:11512;CAS:589-53-7"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[589-53-7]"
      }
    },
    {
      "@id": "reaxys:1696874",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.chebi_xrefs",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "http://purl.obolibrary.org/obo/CHEBI_67193"
        ],
        "prov:wasDerivedFrom": "chebi.xrefs_urls"
      }
    }
  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "08a91e70-3ddc-11dd-9191-0050c2490048",
    "seed_source": "EF 3.1"
  },
  "classifications": {
    "http://semanticscience.org/resource/CHEMINF_000446": {
      "@value": [
        "589-53-7"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=589-53-7"
      ],
      "skos:exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=589-53-7"
        }
      ],
      "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": [
        "209-650-1"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=209-650-1"
      ],
      "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,
  "skos:definition": [
    {
      "@value": "A branched C<small><sub>8</sub></small> alkane, comprising heptane with a methyl group attached at C-4. It has been found in Amaranth seeds.",
      "@language": "en",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.chebi_definition",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "http://purl.obolibrary.org/obo/CHEBI_67193"
        ],
        "prov:wasDerivedFrom": "chebi.definition"
      }
    }
  ]
}