Brightway Flows 1.0
GitHub

3-(methoxycarbonyl)-5-nitrobenzoic Acid

fo-8ae1ee23d10f57fa

Identity

Type
Neutral molecule
CAS
1955-46-0
EC
217-793-6
Origin
EF 3.1 hybrid_name_cas_v1
Changes
53 across every transformer

Structure

Structure diagram for 3-(methoxycarbonyl)-5-nitrobenzoic Acid

Alternative labels

16

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string ZCRNIIJXDRYWDU-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C9H7NO6/c1-16-9(13)6-2-5(8(11)12)3-7(4-6)10(14)15/h2-4H,1H3,(H,11,12)
IUPAC name chemrof:IUPAC_name 3-carbomethoxy-5-nitro-benzoic acid, 3-methoxycarbonyl-5-nitro-benzoic acid, 3-methoxycarbonyl-5-nitrobenzoic acid
Molecular formula chemrof:molecular_formula C9H7NO6
Molecular mass chemrof:molecular_mass 225.156
Monoisotopic mass chemrof:monoisotopic_mass 225.027337
SMILES string chemrof:smiles_string COC(=O)C1=CC(=CC(=C1)C(=O)O)[N+](=O)[O-]

Known URLs

8

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=1955-46-0 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.016.176 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID50883784 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/V8UVV7P68X enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J199.778E enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/74776 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=019418 enrich_references.pubchem_identifier_url
Wikidata https://www.wikidata.org/wiki/Q72493616 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
4a8e4a4e-822c-4f52-bc35-d1f7b5b6c347 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
71b84cfe-aa49-41fc-8473-ee6b582c1352 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
ea791db6-c7e8-4229-8e06-8d71ea103fe3 Environmental → Air → Indoor EF 3.1 kg 2
1acb5b4e-11f0-4237-a573-fa22cbfb828c Environmental → Air → Long-term EF 3.1 kg 0
4b25e989-a672-43e1-94f8-8cbc4f98956c Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
36eff3df-29b1-4634-8014-d319ab5bbba8 Environmental → Air → Unknown EF 3.1 kg 2
b1d9dd12-8d7a-4d63-bf91-a3cc601096c6 Environmental → Ground → Agricultural EF 3.1 kg 2
9100eae8-8497-4f9c-b281-37ccc50d7eff Environmental → Ground → Non-agricultural EF 3.1 kg 2
0d0ca7d9-111c-46a8-88c1-c5de31800233 Environmental → Ground → Unknown EF 3.1 kg 2
bb2e8b82-2ea7-43c8-998e-d5ea6777b81c Environmental → Water → Long-term EF 3.1 kg 0
50e8bdfc-e291-44b8-bffb-c915d2c59de3 Environmental → Water → Ocean EF 3.1 kg 2
4f0e0d32-0db8-4995-bb15-913f74a04046 Environmental → Water → Surface water EF 3.1 kg 2
e2d00267-2b87-47a5-b0d9-0581bee5f88d Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (53 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-8ae1ee23d10f57fa",
  "prefLabel": [
    {
      "@value": "3-(methoxycarbonyl)-5-nitrobenzoic Acid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1,3-Benzenedicarboxylic acid, 5-nitro-, 1-methyl ester",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:1955-46-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=1955-46-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1,3-Benzenedicarboxylic acid, 5-nitro-, monomethyl ester",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:1955-46-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=1955-46-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1-Methyl 5-nitro-1,3-benzenedicarboxylate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:1955-46-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=1955-46-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3-Carbomethoxy-5-nitrobenzoic acid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:1955-46-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=1955-46-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3-Methoxycarbonyl-5-nitrobenzoic acid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:1955-46-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=1955-46-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3-Nitro-5-(methoxycarbonyl)benzoic acid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:1955-46-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=1955-46-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "5-Nitro-1,3-benzenedicarboxylic acid methyl ester",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:1955-46-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=1955-46-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "5-Nitro-1,3-benzenedicarboxylic acid monomethyl ester",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:1955-46-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=1955-46-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "5-Nitro-3-(carbomethoxy)benzoic acid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:1955-46-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=1955-46-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "5-Nitroisophthalic acid methyl ester",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:1955-46-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=1955-46-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "5-Nitroisophthalic acid monomethyl ester",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:1955-46-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=1955-46-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Isophthalic acid, 5-nitro-, methyl ester",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:1955-46-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=1955-46-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Isophthalic acid, 5-nitro-, monomethyl ester",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:1955-46-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=1955-46-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Methyl 3-carboxy-5-nitrobenzoate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:1955-46-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=1955-46-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Methyl hydrogen 5-nitroisophthalate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:1955-46-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=1955-46-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Monomethyl 5-nitroisophthalate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:1955-46-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=1955-46-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C9H7NO6"
      ],
      "attested_by": {
        "C9H7NO6": [
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "Molecular formula",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:74776"
          ],
          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "COC(=O)C1=CC(=CC(=C1)C(=O)O)[N+](=O)[O-]"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "ZCRNIIJXDRYWDU-UHFFFAOYSA-N"
      ],
      "attested_by": {
        "ZCRNIIJXDRYWDU-UHFFFAOYSA-N": [
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "InChIKey",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:74776"
          ],
          "prov:wasDerivedFrom": "pubchem.props.InChIKey"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "COC(=O)C1=CC(=CC(=C1)C(=O)O)[N+](=O)[O-]"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
        "COC(=O)C1=CC(=CC(=C1)C(=O)O)[N+](=O)[O-]"
      ],
      "attested_by": {
        "COC(=O)C1=CC(=CC(=C1)C(=O)O)[N+](=O)[O-]": [
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "SMILES",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:74776"
          ],
          "prov:wasDerivedFrom": "pubchem.props.SMILES"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "COC(=O)C1=CC(=CC(=C1)C(=O)O)[N+](=O)[O-]"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "@value": [
        "InChI=1S/C9H7NO6/c1-16-9(13)6-2-5(8(11)12)3-7(4-6)10(14)15/h2-4H,1H3,(H,11,12)"
      ],
      "attested_by": {
        "InChI=1S/C9H7NO6/c1-16-9(13)6-2-5(8(11)12)3-7(4-6)10(14)15/h2-4H,1H3,(H,11,12)": [
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "InChI",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:74776"
          ],
          "prov:wasDerivedFrom": "pubchem.props.InChI"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "COC(=O)C1=CC(=CC(=C1)C(=O)O)[N+](=O)[O-]"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "@value": [
        "3-carbomethoxy-5-nitro-benzoic acid",
        "3-methoxycarbonyl-5-nitro-benzoic acid",
        "3-methoxycarbonyl-5-nitrobenzoic acid"
      ],
      "attested_by": {
        "3-carbomethoxy-5-nitro-benzoic acid": [
          "enrich_references.pubchem_semantic"
        ],
        "3-methoxycarbonyl-5-nitro-benzoic acid": [
          "enrich_references.pubchem_semantic"
        ],
        "3-methoxycarbonyl-5-nitrobenzoic acid": [
          "enrich_references.pubchem_semantic"
        ]
      },
      "rdfs:label": "IUPAC name",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:74776"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers.IUPAC Name"
      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "rdfs:label": "Molecular mass",
      "@value": [
        225.156
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "COC(=O)C1=CC(=CC(=C1)C(=O)O)[N+](=O)[O-]"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "COC(=O)C1=CC(=CC(=C1)C(=O)O)[N+](=O)[O-]"
          ]
        }
      ],
      "attested_by": {
        "225.156": [
          "rdkit_post_consensus",
          "rdkit_pre_consensus"
        ]
      },
      "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": [
        225.027337
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "COC(=O)C1=CC(=CC(=C1)C(=O)O)[N+](=O)[O-]"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "COC(=O)C1=CC(=CC(=C1)C(=O)O)[N+](=O)[O-]"
          ]
        }
      ],
      "attested_by": {
        "225.027337": [
          "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=J199.778E",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:74776;CAS:1955-46-0"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[1955-46-0]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.016.176",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:74776;CAS:1955-46-0"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[1955-46-0]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=1955-46-0",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:74776;CAS:1955-46-0"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[1955-46-0]"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID50883784",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:74776;CAS:1955-46-0"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[1955-46-0]"
      }
    },
    {
      "@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/V8UVV7P68X",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:74776;CAS:1955-46-0"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[1955-46-0]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/74776",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:74776;CAS:1955-46-0"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[1955-46-0]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=019418",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:74776;CAS:1955-46-0"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[1955-46-0]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q72493616",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:74776;CAS:1955-46-0"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[1955-46-0]"
      }
    }
  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "0d0ca7d9-111c-46a8-88c1-c5de31800233",
    "seed_source": "EF 3.1",
    "semantic_typing": {
      "rule": "neutral_molecule",
      "reason": "",
      "types": [
        "https://w3id.org/chemrof/NeutralMolecule"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "semantic_typing.classify",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:wasDerivedFrom": "semantic_typing.rule.neutral_molecule"
      }
    }
  },
  "classifications": {
    "http://semanticscience.org/resource/CHEMINF_000446": {
      "@value": [
        "1955-46-0"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=1955-46-0"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=1955-46-0"
        }
      ],
      "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": [
        "217-793-6"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=217-793-6"
      ],
      "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,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

Something wrong here?

You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works

Keyboard

?
Show or hide this map
/
Focus search
Esc
Close