3-oxo-4-azaandrost-5-ene-17-beta-carboxylic Acid

← Back to consensus flows

3-oxo-4-azaandrost-5-ene-17-beta-carboxylic Acid

UUID d552924a-8064-4e0f-b995-8cb7e33bae19

Flow Object ID fo-bf1fb86b9e25f038

Source EF 3.1

Context Environmental → Air → Ground level → Urban (>1000 people/square mile)

CAS Numbers 103335-54-2

EC Numbers 407-830-6

prefLabel

Language	Value	Provenance
`en`	`3-oxo-4-azaandrost-5-ene-17-beta-carboxylic Acid`

altLabel ⓘ

Language	Value	Provenance
`en`	`(4a<em>R</em>,4b<em>S</em>,6a<em>S</em>,7<em>S</em>,9a<em>S</em>,9b<em>S</em>)-2,3,4,4a,4b,5,6,6a,7,8,9,9a,9b,10-Tetradecahydro-4a,6a-dimethyl-2-oxo-1<em>H</em>-indeno[5,4-<em>f</em>]quinoline-7-carboxylic acid`
`en`	`1<em>H</em>-Indeno[5,4-<em>f</em>]quinoline-7-carboxylic acid, 2,3,4,4a,4b,5,6,6a,7,8,9,9a,9b,10-tetradecahydro-4a,6a-dimethyl-2-oxo-, (4a<em>R</em>,4b<em>S</em>,6a<em>S</em>,7<em>S</em>,9a<em>S</em>,9b<em>S</em>)-`
`en`	`3-Oxo-4-aza-5-androstene-17β-carboxylic acid`
`en`	`4-Azaandrost-5-ene-17-carboxylic acid, 3-oxo-, (17β)-`

References

Shared Properties

Predicate	Value
InChIKey	`INSALCBJIJDADX-UHFFFAOYSA-N, WNUUCDPRBZUXGL-KREUYEFPSA-N, WNUUCDPRBZUXGL-NIYOYASCSA-N, WNUUCDPRBZUXGL-UHFFFAOYSA-N, WNUUCDPRBZUXGL-UUBMZHIOSA-N`
InChI	InChI=1S/C19H27NO3/c1-18-9-7-13-11(12(18)4-5-14(18)17(22)23)3-6-15-19(13,2)10-8-16(21)20-15/h6,11-14H,3-5,7-10H2,1-2H3,(H,20,21)(H,22,23), InChI=1S/C19H27NO3/c1-18-9-7-13-11(12(18)4-5-14(18)17(22)23)3-6-15-19(13,2)10-8-16(21)20-15/h6,11-14H,3-5,7-10H2,1-2H3,(H,20,21)(H,22,23)/t11-,12-,13-,14+,18-,19+/m0/s1, InChI=1S/C19H27NO3/c1-18-9-7-13-11(12(18)4-5-14(18)17(22)23)3-6-15-19(13,2)10-8-16(21)20-15/h6,11-14H,3-5,7-10H2,1-2H3,(H,20,21)(H,22,23)/t11-,12-,13-,14?,18-,19+/m1/s1, InChI=1S/C19H27NO3/c1-18-9-7-13-11(12(18)4-5-14(18)17(22)23)3-6-15-19(13,2)10-8-16(21)20-15/h6,11-14H,3-5,7-10H2,1-2H3,(H,20,21)(H,22,23)/t11?,12?,13?,14?,18-,19+/m0/s1, InChI=1S/C20H22N2O/c1-3-21(4-2)20(23)15-22-18-13-9-8-12-17(18)14-19(22)16-10-6-5-7-11-16/h5-14H,3-4,15H2,1-2H3
IUPAC name	(1S,3aS,3bS,9aR,9bS,11aS)-7-keto-9a,11a-dimethyl-1,2,3,3a,3b,4,6,8,9,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxylic acid, (1S,3aS,3bS,9aR,9bS,11aS)-9a,11a-dimethyl-7-oxidanylidene-1,2,3,3a,3b,4,6,8,9,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxylic acid, (1S,3aS,3bS,9aR,9bS,11aS)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,6,8,9,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxylic acid, (3aR,3bR,9aS,9bR,11aR)-7-keto-9a,11a-dimethyl-1,2,3,3a,3b,4,6,8,9,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxylic acid, (3aR,3bR,9aS,9bR,11aR)-9a,11a-dimethyl-7-oxidanylidene-1,2,3,3a,3b,4,6,8,9,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxylic acid, (3aR,3bR,9aS,9bR,11aR)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,6,8,9,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxylic acid, (9aR,11aS)-7-keto-9a,11a-dimethyl-1,2,3,3a,3b,4,6,8,9,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxylic acid, (9aR,11aS)-9a,11a-dimethyl-7-oxidanylidene-1,2,3,3a,3b,4,6,8,9,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxylic acid, (9aR,11aS)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,6,8,9,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxylic acid, 7-keto-9a,11a-dimethyl-1,2,3,3a,3b,4,6,8,9,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxylic acid, 9a,11a-dimethyl-7-oxidanylidene-1,2,3,3a,3b,4,6,8,9,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxylic acid, 9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,6,8,9,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxylic acid, N,N-diethyl-2-(2-phenyl-1-indolyl)acetamide, N,N-diethyl-2-(2-phenylindol-1-yl)acetamide, N,N-diethyl-2-(2-phenylindol-1-yl)ethanamide
Molecular formula	`C19H27NO3, C20H22N2O`
SMILES	`CC12CCC3C(C1CCC2C(=O)O)CC=C4C3(CCC(=O)N4)C, CCN(CC)C(=O)CN1C2=CC=CC=C2C=C1C3=CC=CC=C3, C[C@@]12CC[C@@H]3[C@@H]([C@H]1CCC2C(=O)O)CC=C4[C@]3(CCC(=O)N4)C, C[C@]12CCC3C(C1CCC2C(=O)O)CC=C4[C@@]3(CCC(=O)N4)C, C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)O)CC=C4[C@@]3(CCC(=O)N4)C`

Source List References

List	Version	Source Flow UUID	Source Flow Name
EF	3.1	`d552924a-8064-4e0f-b995-8cb7e33bae19`	3-oxo-4-azaandrost-5-ene-17-beta-carboxylic acid

Concept Associations

Source List	Source Flow	Source Context	Unit	Match Type	Conversion	Provenance
EF 3.1	3-oxo-4-azaandrost-5-ene-17-beta-carboxylic acid	Emissions/Emissions to air/Emissions to urban air close to ground	kg	`exactMatch`	—

Consolidated Field Provenance

0 total PROV activity record(s) for this flow.

Field	Change Count	Latest Time	Transformers	Latest Comment
`altLabel`	1	`—`	consensus_match	group_key=3-oxo-4-azaandrost-5-ene-17-beta-carboxylicacid\|\|dimension=Environmental > media=Ground > geography=Unknown; cas=103335-54-2; added Common Chemistry CAS names as altLabel: (4a<em>R</em>,4b<em>S</em>,6a<em>S</em>,7<em>S</em>,9a<em>S</em>,9b<em>S</em>)-2,3,4,4a,4b,5,6,6a,7,8,9,9a,9b,10-Tetradecahydro-4a,6a-dimethyl-2-oxo-1<em>H</em>-indeno[5,4-<em>f</em>]quinoline-7-carboxylic acid, 1<em>H</em>-Indeno[5,4-<em>f</em>]quinoline-7-carboxylic acid, 2,3,4,4a,4b,5,6,6a,7,8,9,9a,9b,10-tetradecahydro-4a,6a-dimethyl-2-oxo-, (4a<em>R</em>,4b<em>S</em>,6a<em>S</em>,7<em>S</em>,9a<em>S</em>,9b<em>S</em>)-, 3-Oxo-4-aza-5-androstene-17β-carboxylic acid, 4-Azaandrost-5-ene-17-carboxylic acid, 3-oxo-, (17β)-; object_uuid=fo-bf1fb86b9e25f038
`cas_match_labels`	1	`—`	consensus_match	group_key=3-oxo-4-azaandrost-5-ene-17-beta-carboxylicacid\|\|dimension=Environmental > media=Ground > geography=Unknown; group_sources=[]; cas_sources={'103335-54-2': []}; assigned CAS labels from group consensus; object_uuid=fo-bf1fb86b9e25f038: {'103335-54-2': 'exactMatch'}

Context Attributes

Attribute	Value
dimension	Environmental
media	Air
strata	Ground level
population_density	Urban (>1000 people/square mile)

Consensus Changes

Field	Old Value	New Value	Comment
`altLabel`	`None`	[{'@value': '(4a<em>R</em>,4b<em>S</em>,6a<em>S</em>,7<em>S</em>,9a<em>S</em>,9b<em>S</em>)-2,3,4,4a,4b,5,6,6a,7,8,9,9a,9b,10-Tetradecahydro-4a,6a-dimethyl-2-oxo-1<em>H</em>-indeno[5,4-<em>f</em>]quinoline-7-carboxylic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:103335-54-2', 'https://commonchemistry.cas.org/detail?cas_rn=103335-54-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '1<em>H</em>-Indeno[5,4-<em>f</em>]quinoline-7-carboxylic acid, 2,3,4,4a,4b,5,6,6a,7,8,9,9a,9b,10-tetradecahydro-4a,6a-dimethyl-2-oxo-, (4a<em>R</em>,4b<em>S</em>,6a<em>S</em>,7<em>S</em>,9a<em>S</em>,9b<em>S</em>)-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:103335-54-2', 'https://commonchemistry.cas.org/detail?cas_rn=103335-54-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '3-Oxo-4-aza-5-androstene-17β-carboxylic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:103335-54-2', 'https://commonchemistry.cas.org/detail?cas_rn=103335-54-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '4-Azaandrost-5-ene-17-carboxylic acid, 3-oxo-, (17β)-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:103335-54-2', 'https://commonchemistry.cas.org/detail?cas_rn=103335-54-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}]	group_key=3-oxo-4-azaandrost-5-ene-17-beta-carboxylicacid\|\|dimension=Environmental > media=Ground > geography=Unknown; cas=103335-54-2; added Common Chemistry CAS names as altLabel: (4a<em>R</em>,4b<em>S</em>,6a<em>S</em>,7<em>S</em>,9a<em>S</em>,9b<em>S</em>)-2,3,4,4a,4b,5,6,6a,7,8,9,9a,9b,10-Tetradecahydro-4a,6a-dimethyl-2-oxo-1<em>H</em>-indeno[5,4-<em>f</em>]quinoline-7-carboxylic acid, 1<em>H</em>-Indeno[5,4-<em>f</em>]quinoline-7-carboxylic acid, 2,3,4,4a,4b,5,6,6a,7,8,9,9a,9b,10-tetradecahydro-4a,6a-dimethyl-2-oxo-, (4a<em>R</em>,4b<em>S</em>,6a<em>S</em>,7<em>S</em>,9a<em>S</em>,9b<em>S</em>)-, 3-Oxo-4-aza-5-androstene-17β-carboxylic acid, 4-Azaandrost-5-ene-17-carboxylic acid, 3-oxo-, (17β)-; object_uuid=fo-bf1fb86b9e25f038
`cas_match_labels`	`None`	`{'103335-54-2': 'exactMatch'}`	group_key=3-oxo-4-azaandrost-5-ene-17-beta-carboxylicacid\|\|dimension=Environmental > media=Ground > geography=Unknown; group_sources=[]; cas_sources={'103335-54-2': []}; assigned CAS labels from group consensus; object_uuid=fo-bf1fb86b9e25f038: {'103335-54-2': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

{
  "uuid": "d552924a-8064-4e0f-b995-8cb7e33bae19",
  "name": null,
  "cas_numbers": [
    "103335-54-2"
  ],
  "ec_numbers": [
    "407-830-6"
  ],
  "context": {
    "dimension": "Environmental",
    "media": "Air",
    "strata": "Ground level",
    "population_density": "Urban (>1000 people/square mile)"
  },
  "general_comment": null,
  "synonyms": [],
  "unit": "kg",
  "lcia_methods": [
    {
      "method_uuid": "05316e7a-b254-4bea-9cf0-6bf33eb5c630",
      "name": "Ecotoxicity, freshwater",
      "methodology": "Environmental Footprint",
      "impact_category": "Aquatic eco-toxicity",
      "impact_indicator": "Comparative Toxic Unit for ecosystems (CTUe) ",
      "characterization_factor": 32.284
    },
    {
      "method_uuid": "fd530f00-9325-424a-92ef-aaac67922fd9",
      "name": "Ecotoxicity, freshwater_organics",
      "methodology": "Environmental Footprint",
      "impact_category": "Aquatic eco-toxicity",
      "impact_indicator": "Comparative Toxic Unit for ecosystems (CTUe) ",
      "characterization_factor": 32.284
    }
  ],
  "source": "EF 3.1",
  "identifier": "d552924a-8064-4e0f-b995-8cb7e33bae19",
  "input_datasets": [
    "EF 3.1"
  ],
  "source_refs": [
    {
      "list_name": "EF",
      "list_version": "3.1",
      "source_flow_uuid": "d552924a-8064-4e0f-b995-8cb7e33bae19",
      "source_flow_name": "3-oxo-4-azaandrost-5-ene-17-beta-carboxylic acid",
      "source_metadata": {
        "input_file": "/home/cmutel/.local/share/consensus-flow-list/ef-31-flows.json",
        "input_dataset": "EF 3.1",
        "original_context": [
          "Emissions",
          "Emissions to air",
          "Emissions to urban air close to ground"
        ]
      }
    }
  ],
  "prefLabel": [
    {
      "@value": "3-oxo-4-azaandrost-5-ene-17-beta-carboxylic Acid",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "_sources": {
    "prefLabel": "normalize_name_case",
    "name": "bootstrap_labels",
    "synonyms": "bootstrap_labels",
    "context": "default_context_mapping",
    "context_iri": "default_context_mapping",
    "unit_iri": "unit_normalization",
    "properties": "enrich_references",
    "skos:definition": "enrich_references",
    "references": "enrich_references",
    "altLabel": "consensus_match",
    "cas_match_labels": "consensus_match"
  },
  "context_iri": "https://vocab.brightway.one/flow-contexts/envi-air-grle-ur10pesq",
  "unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C19H27NO3",
        "C20H22N2O"
      ],
      "rdfs:label": "Molecular formula",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:381974",
          "CID:475447",
          "CID:11558745",
          "CID:22020172",
          "CID:134128039"
        ],
        "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
      }
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "INSALCBJIJDADX-UHFFFAOYSA-N",
        "WNUUCDPRBZUXGL-KREUYEFPSA-N",
        "WNUUCDPRBZUXGL-NIYOYASCSA-N",
        "WNUUCDPRBZUXGL-UHFFFAOYSA-N",
        "WNUUCDPRBZUXGL-UUBMZHIOSA-N"
      ],
      "rdfs:label": "InChIKey",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:381974",
          "CID:475447",
          "CID:11558745",
          "CID:22020172",
          "CID:134128039"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChIKey"
      }
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
        "CC12CCC3C(C1CCC2C(=O)O)CC=C4C3(CCC(=O)N4)C",
        "CCN(CC)C(=O)CN1C2=CC=CC=C2C=C1C3=CC=CC=C3",
        "C[C@@]12CC[C@@H]3[C@@H]([C@H]1CCC2C(=O)O)CC=C4[C@]3(CCC(=O)N4)C",
        "C[C@]12CCC3C(C1CCC2C(=O)O)CC=C4[C@@]3(CCC(=O)N4)C",
        "C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)O)CC=C4[C@@]3(CCC(=O)N4)C"
      ],
      "rdfs:label": "SMILES",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:381974",
          "CID:475447",
          "CID:11558745",
          "CID:22020172",
          "CID:134128039"
        ],
        "prov:wasDerivedFrom": "pubchem.props.SMILES"
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "@value": [
        "InChI=1S/C19H27NO3/c1-18-9-7-13-11(12(18)4-5-14(18)17(22)23)3-6-15-19(13,2)10-8-16(21)20-15/h6,11-14H,3-5,7-10H2,1-2H3,(H,20,21)(H,22,23)",
        "InChI=1S/C19H27NO3/c1-18-9-7-13-11(12(18)4-5-14(18)17(22)23)3-6-15-19(13,2)10-8-16(21)20-15/h6,11-14H,3-5,7-10H2,1-2H3,(H,20,21)(H,22,23)/t11-,12-,13-,14+,18-,19+/m0/s1",
        "InChI=1S/C19H27NO3/c1-18-9-7-13-11(12(18)4-5-14(18)17(22)23)3-6-15-19(13,2)10-8-16(21)20-15/h6,11-14H,3-5,7-10H2,1-2H3,(H,20,21)(H,22,23)/t11-,12-,13-,14?,18-,19+/m1/s1",
        "InChI=1S/C19H27NO3/c1-18-9-7-13-11(12(18)4-5-14(18)17(22)23)3-6-15-19(13,2)10-8-16(21)20-15/h6,11-14H,3-5,7-10H2,1-2H3,(H,20,21)(H,22,23)/t11?,12?,13?,14?,18-,19+/m0/s1",
        "InChI=1S/C20H22N2O/c1-3-21(4-2)20(23)15-22-18-13-9-8-12-17(18)14-19(22)16-10-6-5-7-11-16/h5-14H,3-4,15H2,1-2H3"
      ],
      "rdfs:label": "InChI",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:381974",
          "CID:475447",
          "CID:11558745",
          "CID:22020172",
          "CID:134128039"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChI"
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "@value": [
        "(1S,3aS,3bS,9aR,9bS,11aS)-7-keto-9a,11a-dimethyl-1,2,3,3a,3b,4,6,8,9,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxylic acid",
        "(1S,3aS,3bS,9aR,9bS,11aS)-9a,11a-dimethyl-7-oxidanylidene-1,2,3,3a,3b,4,6,8,9,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxylic acid",
        "(1S,3aS,3bS,9aR,9bS,11aS)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,6,8,9,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxylic acid",
        "(3aR,3bR,9aS,9bR,11aR)-7-keto-9a,11a-dimethyl-1,2,3,3a,3b,4,6,8,9,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxylic acid",
        "(3aR,3bR,9aS,9bR,11aR)-9a,11a-dimethyl-7-oxidanylidene-1,2,3,3a,3b,4,6,8,9,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxylic acid",
        "(3aR,3bR,9aS,9bR,11aR)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,6,8,9,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxylic acid",
        "(9aR,11aS)-7-keto-9a,11a-dimethyl-1,2,3,3a,3b,4,6,8,9,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxylic acid",
        "(9aR,11aS)-9a,11a-dimethyl-7-oxidanylidene-1,2,3,3a,3b,4,6,8,9,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxylic acid",
        "(9aR,11aS)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,6,8,9,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxylic acid",
        "7-keto-9a,11a-dimethyl-1,2,3,3a,3b,4,6,8,9,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxylic acid",
        "9a,11a-dimethyl-7-oxidanylidene-1,2,3,3a,3b,4,6,8,9,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxylic acid",
        "9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,6,8,9,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxylic acid",
        "N,N-diethyl-2-(2-phenyl-1-indolyl)acetamide",
        "N,N-diethyl-2-(2-phenylindol-1-yl)acetamide",
        "N,N-diethyl-2-(2-phenylindol-1-yl)ethanamide"
      ],
      "rdfs:label": "IUPAC name",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:381974",
          "CID:475447",
          "CID:11558745",
          "CID:22020172",
          "CID:134128039"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers.IUPAC Name"
      }
    }
  },
  "skos:definition": [],
  "references": [
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J642.080J",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:381974;CAS:103335-54-2"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[103335-54-2]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.100.929",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:475447;CAS:103335-54-2"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[103335-54-2]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.132.754",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:475447;CAS:103335-54-2"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[103335-54-2]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=103335-54-2",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:475447;CAS:103335-54-2"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[103335-54-2]"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID70893628",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:475447;CAS:103335-54-2"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[103335-54-2]"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID70984282",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:381974;CAS:103335-54-2"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[103335-54-2]"
      }
    },
    {
      "@id": "https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=669284",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:381974;CAS:103335-54-2"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[103335-54-2]"
      }
    },
    {
      "@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/UCI904SOZG",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:475447;CAS:103335-54-2"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[103335-54-2]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/11558745",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:11558745;CAS:103335-54-2"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[103335-54-2]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/134128039",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:134128039;CAS:103335-54-2"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[103335-54-2]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/22020172",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:22020172;CAS:103335-54-2"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[103335-54-2]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/381974",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:381974;CAS:103335-54-2"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[103335-54-2]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/475447",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:475447;CAS:103335-54-2"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[103335-54-2]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=085958",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:475447;CAS:103335-54-2"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[103335-54-2]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=145104",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:381974;CAS:103335-54-2"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[103335-54-2]"
      }
    },
    {
      "@id": "https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL2006694",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:381974;CAS:103335-54-2"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[103335-54-2]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q126612654",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:22020172;CAS:103335-54-2"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[103335-54-2]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q27291022",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:475447;CAS:103335-54-2"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[103335-54-2]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q82971458",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:381974;CAS:103335-54-2"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[103335-54-2]"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "(4a<em>R</em>,4b<em>S</em>,6a<em>S</em>,7<em>S</em>,9a<em>S</em>,9b<em>S</em>)-2,3,4,4a,4b,5,6,6a,7,8,9,9a,9b,10-Tetradecahydro-4a,6a-dimethyl-2-oxo-1<em>H</em>-indeno[5,4-<em>f</em>]quinoline-7-carboxylic acid",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:103335-54-2",
          "https://commonchemistry.cas.org/detail?cas_rn=103335-54-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1<em>H</em>-Indeno[5,4-<em>f</em>]quinoline-7-carboxylic acid, 2,3,4,4a,4b,5,6,6a,7,8,9,9a,9b,10-tetradecahydro-4a,6a-dimethyl-2-oxo-, (4a<em>R</em>,4b<em>S</em>,6a<em>S</em>,7<em>S</em>,9a<em>S</em>,9b<em>S</em>)-",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:103335-54-2",
          "https://commonchemistry.cas.org/detail?cas_rn=103335-54-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3-Oxo-4-aza-5-androstene-17β-carboxylic acid",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:103335-54-2",
          "https://commonchemistry.cas.org/detail?cas_rn=103335-54-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4-Azaandrost-5-ene-17-carboxylic acid, 3-oxo-, (17β)-",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:103335-54-2",
          "https://commonchemistry.cas.org/detail?cas_rn=103335-54-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "cas_match_labels": {
    "103335-54-2": "exactMatch"
  },
  "concept_associations": [
    {
      "@type": "xkos:ConceptAssociation",
      "xkos:sourceConcept": {
        "@id": "https://vocab.brightway.one/ef/3.1/flow/d552924a-8064-4e0f-b995-8cb7e33bae19",
        "skos:prefLabel": "3-oxo-4-azaandrost-5-ene-17-beta-carboxylic acid",
        "context": "Emissions/Emissions to air/Emissions to urban air close to ground",
        "qudt:unit": "kg"
      },
      "xkos:targetConcept": {
        "@id": "https://vocab.brightway.dev/elementary-flows/d552924a-8064-4e0f-b995-8cb7e33bae19"
      },
      "xkos:mapType": {
        "@id": "http://www.w3.org/2004/02/skos/core#exactMatch"
      },
      "provenance": {
        "prov:wasGeneratedBy": "build_concept_associations",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "https://eplca.jrc.ec.europa.eu/permalink/EF3_1/EF-v3.1.zip"
        ]
      }
    }
  ],
  "flow_object_id": "fo-bf1fb86b9e25f038"
}