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Propionitrile

UUID c53f6a35-8aa1-4057-8bbd-521b17202c25
Deprecated yes
Replaced By 275a3ba4-8b0c-4734-b657-7f3937937c1b
Flow Object IDfo-a584996f95984520
Source EF 3.1
Context Environmental → Ground → Unknown
CAS Numbers 107-12-0
EC Numbers 203-464-4
prefLabel ⓘ
Language Value Provenance
en Propionitrile
altLabel ⓘ
Language Value Provenance
en CH3CH2CN
en EtCN
en cyanoethane
en ethyl cyanide
en n-propanenitrile
en propanenitrile
en propanonitrile
en propionic nitrile
en 1-Methylacetonitrile
en <em>n</em>-Propanenitrile
en Ether cyanatus
en Hydrocyanic ether
en NSC 7966
en Propiononitrile
en Propylnitrile
Definitions
Language Value Provenance
en A nitrile that is acrylonitrile in which the carbon-carbon double bond has been reduced to a single bond.
References
Shared Properties
Predicate Value
Formal charge 0
InChIKey FVSKHRXBFJPNKK-UHFFFAOYSA-N
InChI InChI=1S/C3H5N/c1-2-3-4/h2H2,1H3
IUPAC name propanenitrile, propionitrile
Molecular formula C3H5N
Molecular mass 55.08
Monoisotopic mass 55.0422
SMILES CCC#N

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 c53f6a35-8aa1-4057-8bbd-521b17202c25 propiononitrile

Consolidated Field Provenance

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

Field Change Count Latest Time Transformers Latest Comment
altLabel 2 — consensus_match group_key=propiononitrile||dimension=Environmental > media=Ground > geography=Unknown; cas=107-12-0; added Common Chemistry CAS names as altLabel: 1-Methylacetonitrile, <em>n</em>-Propanenitrile, Ether cyanatus, Hydrocyanic ether, NSC 7966, Propiononitrile, Propylnitrile; object_uuid=fo-a584996f95984520
cas_match_labels 1 — consensus_match group_key=propiononitrile||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'107-12-0': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-a584996f95984520: {'107-12-0': 'exactMatch'}
prefLabel 1 — consensus_match cas=107-12-0; cc_chebi_agreed_name='Propionitrile'; object_uuid=fo-a584996f95984520

Context Attributes

AttributeValue
dimensionEnvironmental
mediaGround
geographyUnknown

Consensus Changes

Field Old Value New Value Comment
prefLabel [{'@value': 'Propiononitrile', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'bootstrap_labels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['EF 3.1'], 'prov:wasDerivedFrom': 'legacy name field'}}] [{'@value': 'Propionitrile', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:107-12-0'], 'prov:wasDerivedFrom': 'Common Chemistry / ChEBI primary name agreement'}}] cas=107-12-0; cc_chebi_agreed_name='Propionitrile'; object_uuid=fo-a584996f95984520
altLabel [{'@value': 'CH3CH2CN', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:CH3CH2CN', 'http://purl.obolibrary.org/obo/CHEBI_26307', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'EtCN', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:EtCN', 'http://purl.obolibrary.org/obo/CHEBI_26307', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'cyanoethane', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:cyanoethane', 'http://purl.obolibrary.org/obo/CHEBI_26307', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'ethyl cyanide', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:ethyl cyanide', 'http://purl.obolibrary.org/obo/CHEBI_26307', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'n-propanenitrile', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:n-propanenitrile', 'http://purl.obolibrary.org/obo/CHEBI_26307', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'propanenitrile', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:propanenitrile', 'http://purl.obolibrary.org/obo/CHEBI_26307', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'propanonitrile', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:propanonitrile', 'http://purl.obolibrary.org/obo/CHEBI_26307', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'propionic nitrile', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:propionic nitrile', 'http://purl.obolibrary.org/obo/CHEBI_26307', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}] [{'@value': 'CH3CH2CN', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:CH3CH2CN', 'http://purl.obolibrary.org/obo/CHEBI_26307', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'EtCN', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:EtCN', 'http://purl.obolibrary.org/obo/CHEBI_26307', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'cyanoethane', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:cyanoethane', 'http://purl.obolibrary.org/obo/CHEBI_26307', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'ethyl cyanide', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:ethyl cyanide', 'http://purl.obolibrary.org/obo/CHEBI_26307', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'n-propanenitrile', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:n-propanenitrile', 'http://purl.obolibrary.org/obo/CHEBI_26307', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'propanenitrile', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:propanenitrile', 'http://purl.obolibrary.org/obo/CHEBI_26307', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'propanonitrile', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:propanonitrile', 'http://purl.obolibrary.org/obo/CHEBI_26307', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'propionic nitrile', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:propionic nitrile', 'http://purl.obolibrary.org/obo/CHEBI_26307', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Propiononitrile', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['EF 3.1'], 'prov:wasDerivedFrom': 'original name retained as altLabel'}}] cas=107-12-0; added original name as altLabel after CC/ChEBI rename; object_uuid=fo-a584996f95984520
altLabel [{'@value': 'CH3CH2CN', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:CH3CH2CN', 'http://purl.obolibrary.org/obo/CHEBI_26307', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'EtCN', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:EtCN', 'http://purl.obolibrary.org/obo/CHEBI_26307', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'cyanoethane', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:cyanoethane', 'http://purl.obolibrary.org/obo/CHEBI_26307', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'ethyl cyanide', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:ethyl cyanide', 'http://purl.obolibrary.org/obo/CHEBI_26307', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'n-propanenitrile', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:n-propanenitrile', 'http://purl.obolibrary.org/obo/CHEBI_26307', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'propanenitrile', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:propanenitrile', 'http://purl.obolibrary.org/obo/CHEBI_26307', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'propanonitrile', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:propanonitrile', 'http://purl.obolibrary.org/obo/CHEBI_26307', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'propionic nitrile', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:propionic nitrile', 'http://purl.obolibrary.org/obo/CHEBI_26307', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Propiononitrile', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['EF 3.1'], 'prov:wasDerivedFrom': 'original name retained as altLabel'}}] [{'@value': 'CH3CH2CN', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:CH3CH2CN', 'http://purl.obolibrary.org/obo/CHEBI_26307', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'EtCN', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:EtCN', 'http://purl.obolibrary.org/obo/CHEBI_26307', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'cyanoethane', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:cyanoethane', 'http://purl.obolibrary.org/obo/CHEBI_26307', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'ethyl cyanide', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:ethyl cyanide', 'http://purl.obolibrary.org/obo/CHEBI_26307', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'n-propanenitrile', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:n-propanenitrile', 'http://purl.obolibrary.org/obo/CHEBI_26307', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'propanenitrile', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:propanenitrile', 'http://purl.obolibrary.org/obo/CHEBI_26307', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'propanonitrile', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:propanonitrile', 'http://purl.obolibrary.org/obo/CHEBI_26307', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'propionic nitrile', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:propionic nitrile', 'http://purl.obolibrary.org/obo/CHEBI_26307', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '1-Methylacetonitrile', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:107-12-0', 'https://commonchemistry.cas.org/detail?cas_rn=107-12-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>n</em>-Propanenitrile', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:107-12-0', 'https://commonchemistry.cas.org/detail?cas_rn=107-12-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Ether cyanatus', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:107-12-0', 'https://commonchemistry.cas.org/detail?cas_rn=107-12-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Hydrocyanic ether', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:107-12-0', 'https://commonchemistry.cas.org/detail?cas_rn=107-12-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 7966', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:107-12-0', 'https://commonchemistry.cas.org/detail?cas_rn=107-12-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Propiononitrile', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:107-12-0', 'https://commonchemistry.cas.org/detail?cas_rn=107-12-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Propylnitrile', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:107-12-0', 'https://commonchemistry.cas.org/detail?cas_rn=107-12-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=propiononitrile||dimension=Environmental > media=Ground > geography=Unknown; cas=107-12-0; added Common Chemistry CAS names as altLabel: 1-Methylacetonitrile, <em>n</em>-Propanenitrile, Ether cyanatus, Hydrocyanic ether, NSC 7966, Propiononitrile, Propylnitrile; object_uuid=fo-a584996f95984520
cas_match_labels None {'107-12-0': 'exactMatch'} group_key=propiononitrile||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'107-12-0': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-a584996f95984520: {'107-12-0': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

{
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  "name": null,
  "cas_numbers": [
    "107-12-0"
  ],
  "ec_numbers": [
    "203-464-4"
  ],
  "context": {
    "dimension": "Environmental",
    "media": "Ground",
    "geography": "Unknown"
  },
  "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": 2.5513
    },
    {
      "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": 2.5513
    }
  ],
  "source": "EF 3.1",
  "identifier": "c53f6a35-8aa1-4057-8bbd-521b17202c25",
  "input_datasets": [
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  ],
  "source_refs": [
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      "list_version": "3.1",
      "source_flow_uuid": "c53f6a35-8aa1-4057-8bbd-521b17202c25",
      "source_flow_name": "propiononitrile",
      "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 soil",
          "Emissions to soil, unspecified"
        ]
      }
    }
  ],
  "prefLabel": [
    {
      "@value": "Propionitrile",
      "@language": "en",
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        "prov:hadPrimarySource": [
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      }
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  "_sources": {
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    "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"
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  "context_iri": "https://vocab.brightway.one/flow-contexts/envi-grou-unkn",
  "unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
  "properties": {
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      "@value": [
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      "rdfs:label": "Molecular formula",
      "provenance": [
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    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
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      "rdfs:label": "SMILES",
      "provenance": [
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    "https://w3id.org/chemrof/inchi2d_string": {
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      "@value": [
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      "rdfs:label": "InChI",
      "provenance": [
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        {
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          "prov:hadPrimarySource": [
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    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "FVSKHRXBFJPNKK-UHFFFAOYSA-N"
      ],
      "rdfs:label": "InChIKey",
      "provenance": [
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        }
      ]
    },
    "https://w3id.org/chemrof/molecular_mass": {
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      "@value": [
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      ],
      "rdfs:label": "Molecular mass",
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL",
      "provenance": {
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        "prov:wasDerivedFrom": "chebi.basic_property_values.mass"
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    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
      "@id": "https://w3id.org/chemrof/monoisotopic_mass",
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