4-methyl-3-nitrobenzoic Acid

← Back to consensus flows

4-methyl-3-nitrobenzoic Acid

UUID e7c20e61-10c7-46e3-9b70-3409c6be9212

Flow Object ID fo-c8f5758d10d308a8

Source EF 3.1

Context Environmental → Water → Ocean

CAS Numbers 96-98-0

EC Numbers 202-549-3

prefLabel

Language	Value	Provenance
`en`	`4-methyl-3-nitrobenzoic Acid`

altLabel ⓘ

Language	Value	Provenance
`en`	`3-Nitro-4-methylbenzoic acid`
`en`	`3-Nitro-<em>p</em>-toluic acid`
`en`	`<em>p</em>-Toluic acid, 3-nitro-`
`en`	`Benzoic acid, 4-methyl-3-nitro-`
`en`	`NSC 50659`

References

Shared Properties

Predicate	Value
InChIKey	`BBEWSMNRCUXQRF-UHFFFAOYSA-M, BBEWSMNRCUXQRF-UHFFFAOYSA-N, VVBLNCFGVYUYGU-UHFFFAOYSA-N, XDTTUTIFWDAMIX-UHFFFAOYSA-N, YFPBHPCMYFCRKS-UHFFFAOYSA-N`
InChI	`InChI=1S/C17H20N2O/c1-18(2)15-9-5-13(6-10-15)17(20)14-7-11-16(12-8-14)19(3)4/h5-12H,1-4H3, InChI=1S/C8H7NO4/c1-5-2-3-6(8(10)11)4-7(5)9(12)13/h2-4H,1H3,(H,10,11), InChI=1S/C8H7NO4/c1-5-2-3-6(8(10)11)4-7(5)9(12)13/h2-4H,1H3,(H,10,11)/p-1, InChI=1S/C8H7NO4/c1-5-4-6(8(10)11)2-3-7(5)9(12)13/h2-4H,1H3,(H,10,11), InChI=1S/C9H9NO4/c1-6-3-4-7(9(11)14-2)5-8(6)10(12)13/h3-5H,1-2H3`
IUPAC name	`3-methyl-4-nitro-benzoic acid, 3-methyl-4-nitrobenzoic acid, 4-methyl-3-nitro-benzoate, 4-methyl-3-nitro-benzoic acid, 4-methyl-3-nitro-benzoic acid methyl ester, 4-methyl-3-nitrobenzoate, 4-methyl-3-nitrobenzoic acid, 4-methyl-3-nitrobenzoic acid methyl ester, bis[4-(dimethylamino)phenyl]methanone, methyl 4-methyl-3-nitro-benzoate, methyl 4-methyl-3-nitrobenzoate`
Molecular formula	`C17H20N2O, C8H6NO4-, C8H7NO4, C9H9NO4`
SMILES	`CC1=C(C=C(C=C1)C(=O)O)[N+](=O)[O-], CC1=C(C=C(C=C1)C(=O)OC)[N+](=O)[O-], CC1=C(C=C(C=C1)C(=O)[O-])[N+](=O)[O-], CC1=C(C=CC(=C1)C(=O)O)[N+](=O)[O-], CN(C)C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)N(C)C`

Source List References

List	Version	Source Flow UUID	Source Flow Name
EF	3.1	`e7c20e61-10c7-46e3-9b70-3409c6be9212`	4-methyl-3-nitrobenzoic acid

Concept Associations

Source List	Source Flow	Source Context	Unit	Match Type	Conversion	Provenance
EF 3.1	4-methyl-3-nitrobenzoic acid	Emissions/Emissions to water/Emissions to sea water	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=4-methyl-3-nitrobenzoicacid\|\|dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=96-98-0; added Common Chemistry CAS names as altLabel: 3-Nitro-4-methylbenzoic acid, 3-Nitro-<em>p</em>-toluic acid, <em>p</em>-Toluic acid, 3-nitro-, Benzoic acid, 4-methyl-3-nitro-, NSC 50659; object_uuid=fo-c8f5758d10d308a8
`cas_match_labels`	1	`—`	consensus_match	group_key=4-methyl-3-nitrobenzoicacid\|\|dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'96-98-0': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-c8f5758d10d308a8: {'96-98-0': 'exactMatch'}

Context Attributes

Attribute	Value
dimension	Environmental
media	Water
water_body	Ocean

Consensus Changes

Field	Old Value	New Value	Comment
`altLabel`	`None`	[{'@value': '3-Nitro-4-methylbenzoic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:96-98-0', 'https://commonchemistry.cas.org/detail?cas_rn=96-98-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '3-Nitro-<em>p</em>-toluic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:96-98-0', 'https://commonchemistry.cas.org/detail?cas_rn=96-98-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>p</em>-Toluic acid, 3-nitro-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:96-98-0', 'https://commonchemistry.cas.org/detail?cas_rn=96-98-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Benzoic acid, 4-methyl-3-nitro-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:96-98-0', 'https://commonchemistry.cas.org/detail?cas_rn=96-98-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 50659', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:96-98-0', 'https://commonchemistry.cas.org/detail?cas_rn=96-98-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}]	group_key=4-methyl-3-nitrobenzoicacid\|\|dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=96-98-0; added Common Chemistry CAS names as altLabel: 3-Nitro-4-methylbenzoic acid, 3-Nitro-<em>p</em>-toluic acid, <em>p</em>-Toluic acid, 3-nitro-, Benzoic acid, 4-methyl-3-nitro-, NSC 50659; object_uuid=fo-c8f5758d10d308a8
`cas_match_labels`	`None`	`{'96-98-0': 'exactMatch'}`	group_key=4-methyl-3-nitrobenzoicacid\|\|dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'96-98-0': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-c8f5758d10d308a8: {'96-98-0': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

{
  "uuid": "e7c20e61-10c7-46e3-9b70-3409c6be9212",
  "name": null,
  "cas_numbers": [
    "96-98-0"
  ],
  "ec_numbers": [
    "202-549-3"
  ],
  "context": {
    "dimension": "Environmental",
    "media": "Water",
    "water_body": "Ocean"
  },
  "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": 0.0034075
    },
    {
      "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": 0.0034075
    }
  ],
  "source": "EF 3.1",
  "identifier": "e7c20e61-10c7-46e3-9b70-3409c6be9212",
  "input_datasets": [
    "EF 3.1"
  ],
  "source_refs": [
    {
      "list_name": "EF",
      "list_version": "3.1",
      "source_flow_uuid": "e7c20e61-10c7-46e3-9b70-3409c6be9212",
      "source_flow_name": "4-methyl-3-nitrobenzoic 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 water",
          "Emissions to sea water"
        ]
      }
    }
  ],
  "prefLabel": [
    {
      "@value": "4-methyl-3-nitrobenzoic 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-wate-ocea",
  "unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C17H20N2O",
        "C8H6NO4-",
        "C8H7NO4",
        "C9H9NO4"
      ],
      "rdfs:label": "Molecular formula",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:7031",
          "CID:7319",
          "CID:18370",
          "CID:81816",
          "CID:4077996"
        ],
        "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
      }
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "BBEWSMNRCUXQRF-UHFFFAOYSA-M",
        "BBEWSMNRCUXQRF-UHFFFAOYSA-N",
        "VVBLNCFGVYUYGU-UHFFFAOYSA-N",
        "XDTTUTIFWDAMIX-UHFFFAOYSA-N",
        "YFPBHPCMYFCRKS-UHFFFAOYSA-N"
      ],
      "rdfs:label": "InChIKey",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:7031",
          "CID:7319",
          "CID:18370",
          "CID:81816",
          "CID:4077996"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChIKey"
      }
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
        "CC1=C(C=C(C=C1)C(=O)O)[N+](=O)[O-]",
        "CC1=C(C=C(C=C1)C(=O)OC)[N+](=O)[O-]",
        "CC1=C(C=C(C=C1)C(=O)[O-])[N+](=O)[O-]",
        "CC1=C(C=CC(=C1)C(=O)O)[N+](=O)[O-]",
        "CN(C)C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)N(C)C"
      ],
      "rdfs:label": "SMILES",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:7031",
          "CID:7319",
          "CID:18370",
          "CID:81816",
          "CID:4077996"
        ],
        "prov:wasDerivedFrom": "pubchem.props.SMILES"
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "@value": [
        "InChI=1S/C17H20N2O/c1-18(2)15-9-5-13(6-10-15)17(20)14-7-11-16(12-8-14)19(3)4/h5-12H,1-4H3",
        "InChI=1S/C8H7NO4/c1-5-2-3-6(8(10)11)4-7(5)9(12)13/h2-4H,1H3,(H,10,11)",
        "InChI=1S/C8H7NO4/c1-5-2-3-6(8(10)11)4-7(5)9(12)13/h2-4H,1H3,(H,10,11)/p-1",
        "InChI=1S/C8H7NO4/c1-5-4-6(8(10)11)2-3-7(5)9(12)13/h2-4H,1H3,(H,10,11)",
        "InChI=1S/C9H9NO4/c1-6-3-4-7(9(11)14-2)5-8(6)10(12)13/h3-5H,1-2H3"
      ],
      "rdfs:label": "InChI",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:7031",
          "CID:7319",
          "CID:18370",
          "CID:81816",
          "CID:4077996"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChI"
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "@value": [
        "3-methyl-4-nitro-benzoic acid",
        "3-methyl-4-nitrobenzoic acid",
        "4-methyl-3-nitro-benzoate",
        "4-methyl-3-nitro-benzoic acid",
        "4-methyl-3-nitro-benzoic acid methyl ester",
        "4-methyl-3-nitrobenzoate",
        "4-methyl-3-nitrobenzoic acid",
        "4-methyl-3-nitrobenzoic acid methyl ester",
        "bis[4-(dimethylamino)phenyl]methanone",
        "methyl 4-methyl-3-nitro-benzoate",
        "methyl 4-methyl-3-nitrobenzoate"
      ],
      "rdfs:label": "IUPAC name",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:7031",
          "CID:7319",
          "CID:18370",
          "CID:81816",
          "CID:4077996"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers.IUPAC Name"
      }
    }
  },
  "skos:definition": [],
  "references": [
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J208.697B",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:18370;CAS:96-98-0"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[96-98-0]"
      }
    },
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J212.354A",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:81816;CAS:96-98-0"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[96-98-0]"
      }
    },
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J4.330C",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:7031;CAS:96-98-0"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[96-98-0]"
      }
    },
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J62.021A",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:7319;CAS:96-98-0"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[96-98-0]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.001.843",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:7031;CAS:96-98-0"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[96-98-0]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.002.319",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:7319;CAS:96-98-0"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[96-98-0]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.019.527",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:18370;CAS:96-98-0"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[96-98-0]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.028.078",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:81816;CAS:96-98-0"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[96-98-0]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=7356-11-8",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:81816;CAS:96-98-0"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[96-98-0]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=96-98-0",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "96-98-0"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID1025641",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:18370;CAS:96-98-0"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[96-98-0]"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID2020894",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:7031;CAS:96-98-0"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[96-98-0]"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID3064641",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:81816;CAS:96-98-0"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[96-98-0]"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID6025642",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:7319;CAS:96-98-0"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[96-98-0]"
      }
    },
    {
      "@id": "https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=28455",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:18370;CAS:96-98-0"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[96-98-0]"
      }
    },
    {
      "@id": "https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=29086",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:81816;CAS:96-98-0"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[96-98-0]"
      }
    },
    {
      "@id": "https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=50659",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:7319;CAS:96-98-0"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[96-98-0]"
      }
    },
    {
      "@id": "https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=9602",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:7031;CAS:96-98-0"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[96-98-0]"
      }
    },
    {
      "@id": "https://en.wikipedia.org/wiki/Michler's_ketone",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:7031;CAS:96-98-0"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[96-98-0]"
      }
    },
    {
      "@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/3Z2SN6B347",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:7031;CAS:96-98-0"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[96-98-0]"
      }
    },
    {
      "@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/4SVO2C6KJ2",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:7319;CAS:96-98-0"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[96-98-0]"
      }
    },
    {
      "@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/ELP258JXH0",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:18370;CAS:96-98-0"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[96-98-0]"
      }
    },
    {
      "@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/SP3WQE4WRB",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:81816;CAS:96-98-0"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[96-98-0]"
      }
    },
    {
      "@id": "https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C44403",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:7031;CAS:96-98-0"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[96-98-0]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/18370",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:18370;CAS:96-98-0"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[96-98-0]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/4077996",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:4077996;CAS:96-98-0"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[96-98-0]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/7031",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:7031;CAS:96-98-0"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[96-98-0]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/7319",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:7319;CAS:96-98-0"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[96-98-0]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/81816",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:81816;CAS:96-98-0"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[96-98-0]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/erg/#2811",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:7319;CAS:96-98-0"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[96-98-0]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/erg/#3143",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:7031;CAS:96-98-0"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[96-98-0]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=019238",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:7031;CAS:96-98-0"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[96-98-0]"
      }
    },
    {
      "@id": "https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:82347",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:7031;CAS:96-98-0"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[96-98-0]"
      }
    },
    {
      "@id": "https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1329280",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:18370;CAS:96-98-0"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[96-98-0]"
      }
    },
    {
      "@id": "https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1488599",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:7319;CAS:96-98-0"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[96-98-0]"
      }
    },
    {
      "@id": "https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL15137",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:7031;CAS:96-98-0"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[96-98-0]"
      }
    },
    {
      "@id": "https://www.kegg.jp/entry/C19266",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:7031;CAS:96-98-0"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[96-98-0]"
      }
    },
    {
      "@id": "https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=123575",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:7031;CAS:96-98-0"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[96-98-0]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q27277230",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:18370;CAS:96-98-0"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[96-98-0]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q418109",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:7031;CAS:96-98-0"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[96-98-0]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q72492899",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:81816;CAS:96-98-0"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[96-98-0]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q72493453",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:7319;CAS:96-98-0"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[96-98-0]"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "3-Nitro-4-methylbenzoic acid",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:96-98-0",
          "https://commonchemistry.cas.org/detail?cas_rn=96-98-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3-Nitro-<em>p</em>-toluic acid",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:96-98-0",
          "https://commonchemistry.cas.org/detail?cas_rn=96-98-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "<em>p</em>-Toluic acid, 3-nitro-",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:96-98-0",
          "https://commonchemistry.cas.org/detail?cas_rn=96-98-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzoic acid, 4-methyl-3-nitro-",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:96-98-0",
          "https://commonchemistry.cas.org/detail?cas_rn=96-98-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "NSC 50659",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:96-98-0",
          "https://commonchemistry.cas.org/detail?cas_rn=96-98-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "cas_match_labels": {
    "96-98-0": "exactMatch"
  },
  "concept_associations": [
    {
      "@type": "xkos:ConceptAssociation",
      "xkos:sourceConcept": {
        "@id": "https://vocab.brightway.one/ef/3.1/flow/e7c20e61-10c7-46e3-9b70-3409c6be9212",
        "skos:prefLabel": "4-methyl-3-nitrobenzoic acid",
        "context": "Emissions/Emissions to water/Emissions to sea water",
        "qudt:unit": "kg"
      },
      "xkos:targetConcept": {
        "@id": "https://vocab.brightway.dev/elementary-flows/e7c20e61-10c7-46e3-9b70-3409c6be9212"
      },
      "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-c8f5758d10d308a8"
}