Consensus flow list

Identity

Type
NeutralMolecule
CAS
74-83-9
EC
200-813-2
Origin
EF 3.1 hybrid_name_cas_v1
Changes
102 across every transformer

Structure

Structure diagram for Bromomethane

What it is used for

2

Roles, not types. A substance bears as many as apply — sulfluramid is an insecticide and an acaricide — and each is a class ChEBI curates, asserted with ChEBI’s own has role. The narrow ones publish the broad ones alongside them, so a substance filed as a herbicide is a pesticide here too. See agricultural chemicals for what the axis is and which classes are published.

Role Definition Evidence
insecticide CHEBI:24852 Strictly, a substance intended to kill members of the class Insecta. In common usage, any substance used for preventing, destroying, repelling or controlling insects. ChEBI
pesticide CHEBI:25944 Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests. ChEBI

Alternative labels

21

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string GZUXJHMPEANEGY-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/CH3Br/c1-2/h1H3
IUPAC name chemrof:IUPAC_name Bromomethane
Molecular formula chemrof:molecular_formula CH3Br
Molecular mass chemrof:molecular_mass 94.939
Monoisotopic mass chemrof:monoisotopic_mass 93.94181, 93.941812
SMILES string chemrof:smiles_string CBr

Known URLs

36

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=74-83-9 enrich_references.chebi_xrefs
cdc.gov https://www.cdc.gov/niosh-rtecs/PA4AC4A0.html enrich_references.pubchem_identifier_url
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:39275 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.000.740 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0109 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID8020832 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL48339 enrich_references.pubchem_identifier_url
foodb.food foodb.food:FDB008126 enrich_references.chebi_xrefs
gmelin gmelin:916 enrich_references.chebi_xrefs
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/9V42E1Z7B6 enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0031524 enrich_references.chebi_xrefs
hts.usitc.gov https://hts.usitc.gov/search?query=2903.61.00.00 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.245.460K enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.381G enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J895.767C enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C18447 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C18447 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=44926 enrich_references.pubchem_identifier_url
MetaCyc https://metacyc.org/compound?orgid=META&id=CPD-12221 enrich_references.chebi_xrefs
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C163675 enrich_references.pubchem_identifier_url
pdb-ccd pdb-ccd:BMM enrich_references.chebi_xrefs
ppdb ppdb:462 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/6323 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#1062 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/11878373 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/17265727 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/18853797 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23800997 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/28614932 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/31832645 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/32067016 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/32245114 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/32745138 enrich_references.chebi_xrefs
reaxys reaxys:1209223 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q421758 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Bromomethane enrich_references.chebi_xrefs

Elementary flows

27
Flow Context Source Unit CFs
d86cb000-6555-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 7
9ae439e4-e251-11e6-bf01-fe55135034f3 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 7
193bf7d2-bd2d-4422-a091-d9ef1f41dd5d Environmental → Air → Indoor EF 3.1 kg 6
9ae436c4-e251-11e6-bf01-fe55135034f3 Environmental → Air → Long-term EF 3.1 kg 3
9ae43854-e251-11e6-bf01-fe55135034f3 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 7
9ae43462-e251-11e6-bf01-fe55135034f3 Environmental → Air → Unknown EF 3.1 kg 7
84deb48b-25ec-4647-8936-e7477cc73b77 Environmental → Ground → Agricultural EF 3.1 kg 4
5f0ebce5-53ba-497d-8227-a9a5c2e17038 Environmental → Ground → Non-agricultural EF 3.1 kg 4
1e8023805375e5f5e9db522d0ab3b40147b981bf Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
b28da050-3059-430a-a54e-f9126a7be6f1 Environmental → Ground → Unknown EF 3.1 kg 4
d2cc72ea-a767-4e3f-80bb-044a136c8da4 Environmental → Water → Long-term EF 3.1 kg 0
6ef990c8-c83e-426a-a05b-add7fa15dfde Environmental → Water → Ocean EF 3.1 kg 4
05f9801a-6b28-46bd-bc4b-b1ec03616d2b Environmental → Water → Surface water EF 3.1 kg 4
6919fe6d-5eeb-44b7-a987-a7fbbfc6b99c Environmental → Water → Unknown EF 3.1 kg 4
b5e3438d-f01c-4e18-89fb-a0215d5ba067 deprecated Environmental → Air → Aircraft cruise height EF 3.1 kg 6
fe0acd60-3ddc-11dd-a8f1-0050c2490048 deprecated Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 7
afa677f0-2433-4f1c-a243-225f7acd6b07 deprecated Environmental → Air → Indoor EF 3.1 kg 6
fe0acd60-3ddc-11dd-a8f0-0050c2490048 deprecated Environmental → Air → Long-term EF 3.1 kg 3
fe0acd60-3ddc-11dd-a8f2-0050c2490048 deprecated Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 7
fe0acd60-3ddc-11dd-a8ef-0050c2490048 deprecated Environmental → Air → Unknown EF 3.1 kg 7
fe0acd60-3ddc-11dd-a8ed-0050c2490048 deprecated Environmental → Ground → Agricultural EF 3.1 kg 4
fe0acd60-3ddc-11dd-a8f6-0050c2490048 deprecated Environmental → Ground → Non-agricultural EF 3.1 kg 4
fe0acd60-3ddc-11dd-a8ee-0050c2490048 deprecated Environmental → Ground → Unknown EF 3.1 kg 4
fe0acd60-3ddc-11dd-a8f4-0050c2490048 deprecated Environmental → Water → Long-term EF 3.1 kg 0
fe0acd60-3ddc-11dd-a8f7-0050c2490048 deprecated Environmental → Water → Ocean EF 3.1 kg 4
fe0acd60-3ddc-11dd-a8f3-0050c2490048 deprecated Environmental → Water → Surface water EF 3.1 kg 4
fe0acd60-3ddc-11dd-a8f5-0050c2490048 deprecated Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (102 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-10b4ae10d418f62f",
  "prefLabel": [
    {
      "@value": "Bromomethane",
      "@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-Bromomethane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=74-83-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Brom-O-Gas",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:74-83-9",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=74-83-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Brommethan",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_39275"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "CH3Br",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Curafume",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:74-83-9",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=74-83-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Embafume",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "http://purl.obolibrary.org/obo/CHEBI_39275"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "F 40B1",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:74-83-9",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=74-83-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Halon 1001",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:74-83-9",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=74-83-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "halon-1001",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "manual_fixes",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "name the fix replaced, retained as altLabel"
      }
    },
    {
      "@value": "Haltox",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:74-83-9",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=74-83-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Iscobrome",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=74-83-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "MeBr",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "http://purl.obolibrary.org/obo/CHEBI_39275"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Methane, bromo-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:74-83-9",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=74-83-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Methybrom",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:74-83-9",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=74-83-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Methyl bromide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "manual_fixes",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "name the fix replaced, retained as altLabel"
      }
    },
    {
      "@value": "Methylbromid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_39275"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Monobrommethan",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_39275"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "monobromomethane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_39275"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "R 40B1",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:74-83-9",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=74-83-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Terabol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:74-83-9",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=74-83-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Methane, Bromo-, Halon 1001",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "carry_member_names",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:wasDerivedFrom": "source_flow_name"
      }
    }
  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "CH3Br"
      ],
      "attested_by": {
        "CH3Br": [
          "enrich_references.chebi_semantic",
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "Molecular formula",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.chebi_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
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          ],
          "prov:wasDerivedFrom": "chebi.basic_property_values.generalized_empirical_formula"
        },
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:6323"
          ],
          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CBr"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
        "CBr"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Bromomethane"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CBr"
          ]
        }
      ],
      "attested_by": {
        "CBr": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/CH3Br/c1-2/h1H3"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Bromomethane"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CBr"
          ]
        }
      ],
      "attested_by": {
        "InChI=1S/CH3Br/c1-2/h1H3": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "GZUXJHMPEANEGY-UHFFFAOYSA-N"
      ],
      "attested_by": {
        "GZUXJHMPEANEGY-UHFFFAOYSA-N": [
          "enrich_references.chebi_semantic",
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "InChIKey",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.chebi_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
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          ],
          "prov:wasDerivedFrom": "chebi.basic_property_values.inchi_key_string"
        },
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:6323"
          ],
          "prov:wasDerivedFrom": "pubchem.props.InChIKey"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CBr"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "@value": [
        94.939
      ],
      "attested_by": {
        "94.939": [
          "enrich_references.chebi_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "Molecular mass",
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL",
      "provenance": [
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