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Plumbagin

UUID 263d001d-45d0-4110-a95e-de52dd212e5a
Flow Object IDfo-d7fafc8a297c424e
Source EF 3.1
Context Environmental → Air → High stack, >150 meters
CAS Numbers 481-42-5
EC Numbers 207-569-6
prefLabel ⓘ
Language Value Provenance
en Plumbagin
altLabel ⓘ
Language Value Provenance
en 2-methyl-5-hydroxy-1,4-naphthoquinone
en 2-methyljuglone
en 5-hydroxy-2-methyl-1,4-naphthalenedione
en 5-hydroxy-2-methylnaphthalene-1,4-dione
en plumbaein
en plumbagine
en plumbagone
en 1,4-Naphthalenedione, 5-hydroxy-2-methyl-
en 1,4-Naphthoquinone, 5-hydroxy-2-methyl-
en 2-Methyl-5-hydroxy-1,4-naphthalenedione
en 5-Hydroxy-2-methyl-1,4-naphthoquinone
en NSC 236613
en NSC 688284
Definitions
Language Value Provenance
en A hydroxy-1,4-naphthoquinone that is 1,4-naphthoquinone in which the hydrogens at positions 2 and 5 are substituted by methyl and hydroxy groups, respectively.
References
Shared Properties
Predicate Value
Formal charge 0
InChIKey VCMMXZQDRFWYSE-UHFFFAOYSA-N
InChI InChI=1S/C11H8O3/c1-6-5-9(13)10-7(11(6)14)3-2-4-8(10)12/h2-5,12H,1H3
IUPAC name 2-methyl-5-oxidanyl-naphthalene-1,4-dione, 5-hydroxy-2-methyl-naphthalene-1,4-dione, 5-hydroxy-2-methylnaphthalene-1,4-dione, plumbagin
Molecular formula C11H8O3
Molecular mass 188.182
Monoisotopic mass 188.04734
SMILES CC1=CC(=O)C2=C(C1=O)C=CC=C2O, CC1=CC(=O)c2c(O)cccc2C1=O

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 263d001d-45d0-4110-a95e-de52dd212e5a 5-hydroxy-2-methyl-1,4-naphthoquinone

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 5-hydroxy-2-methyl-1,4-naphthoquinone Emissions/Emissions to air/Emissions to non-urban air or from high stacks kg exactMatch —

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=5-hydroxy-2-methyl-1,4-naphthoquinone||dimension=Environmental > media=Water > water_body=Ocean; cas=481-42-5; added Common Chemistry CAS names as altLabel: 1,4-Naphthalenedione, 5-hydroxy-2-methyl-, 1,4-Naphthoquinone, 5-hydroxy-2-methyl-, 2-Methyl-5-hydroxy-1,4-naphthalenedione, 5-Hydroxy-2-methyl-1,4-naphthoquinone, NSC 236613, NSC 688284; object_uuid=fo-d7fafc8a297c424e
cas_match_labels 1 — consensus_match group_key=5-hydroxy-2-methyl-1,4-naphthoquinone||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'481-42-5': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-d7fafc8a297c424e: {'481-42-5': 'exactMatch'}
prefLabel 1 — consensus_match cas=481-42-5; cc_chebi_agreed_name='Plumbagin'; object_uuid=fo-d7fafc8a297c424e

Context Attributes

AttributeValue
dimensionEnvironmental
mediaAir
strataHigh stack, >150 meters

Consensus Changes

Field Old Value New Value Comment
prefLabel [{'@value': '5-hydroxy-2-methyl-1,4-naphthoquinone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'bootstrap_labels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['EF 3.1'], 'prov:wasDerivedFrom': 'legacy name field'}}] [{'@value': 'Plumbagin', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:481-42-5'], 'prov:wasDerivedFrom': 'Common Chemistry / ChEBI primary name agreement'}}] cas=481-42-5; cc_chebi_agreed_name='Plumbagin'; object_uuid=fo-d7fafc8a297c424e
altLabel [{'@value': '2-methyl-5-hydroxy-1,4-naphthoquinone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:2-methyl-5-hydroxy-1,4-naphthoquinone', 'http://purl.obolibrary.org/obo/CHEBI_8273', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '2-methyljuglone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:2-methyljuglone', 'http://purl.obolibrary.org/obo/CHEBI_8273', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '5-hydroxy-2-methyl-1,4-naphthalenedione', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:5-hydroxy-2-methyl-1,4-naphthalenedione', 'http://purl.obolibrary.org/obo/CHEBI_8273', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '5-hydroxy-2-methylnaphthalene-1,4-dione', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:5-hydroxy-2-methylnaphthalene-1,4-dione', 'http://purl.obolibrary.org/obo/CHEBI_8273', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Plumbagin', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Plumbagin', 'http://purl.obolibrary.org/obo/CHEBI_8273', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'plumbaein', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:plumbaein', 'http://purl.obolibrary.org/obo/CHEBI_8273', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'plumbagine', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:plumbagine', 'http://purl.obolibrary.org/obo/CHEBI_8273', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'plumbagone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:plumbagone', 'http://purl.obolibrary.org/obo/CHEBI_8273', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}] [{'@value': '2-methyl-5-hydroxy-1,4-naphthoquinone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:2-methyl-5-hydroxy-1,4-naphthoquinone', 'http://purl.obolibrary.org/obo/CHEBI_8273', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '2-methyljuglone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:2-methyljuglone', 'http://purl.obolibrary.org/obo/CHEBI_8273', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '5-hydroxy-2-methyl-1,4-naphthalenedione', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:5-hydroxy-2-methyl-1,4-naphthalenedione', 'http://purl.obolibrary.org/obo/CHEBI_8273', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '5-hydroxy-2-methylnaphthalene-1,4-dione', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:5-hydroxy-2-methylnaphthalene-1,4-dione', 'http://purl.obolibrary.org/obo/CHEBI_8273', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'plumbaein', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:plumbaein', 'http://purl.obolibrary.org/obo/CHEBI_8273', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'plumbagine', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:plumbagine', 'http://purl.obolibrary.org/obo/CHEBI_8273', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'plumbagone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:plumbagone', 'http://purl.obolibrary.org/obo/CHEBI_8273', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '5-hydroxy-2-methyl-1,4-naphthoquinone', '@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=481-42-5; added original name as altLabel after CC/ChEBI rename; object_uuid=fo-d7fafc8a297c424e
altLabel [{'@value': '2-methyl-5-hydroxy-1,4-naphthoquinone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:2-methyl-5-hydroxy-1,4-naphthoquinone', 'http://purl.obolibrary.org/obo/CHEBI_8273', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '2-methyljuglone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:2-methyljuglone', 'http://purl.obolibrary.org/obo/CHEBI_8273', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '5-hydroxy-2-methyl-1,4-naphthalenedione', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:5-hydroxy-2-methyl-1,4-naphthalenedione', 'http://purl.obolibrary.org/obo/CHEBI_8273', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '5-hydroxy-2-methylnaphthalene-1,4-dione', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:5-hydroxy-2-methylnaphthalene-1,4-dione', 'http://purl.obolibrary.org/obo/CHEBI_8273', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'plumbaein', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:plumbaein', 'http://purl.obolibrary.org/obo/CHEBI_8273', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'plumbagine', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:plumbagine', 'http://purl.obolibrary.org/obo/CHEBI_8273', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'plumbagone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:plumbagone', 'http://purl.obolibrary.org/obo/CHEBI_8273', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '5-hydroxy-2-methyl-1,4-naphthoquinone', '@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': '2-methyl-5-hydroxy-1,4-naphthoquinone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:2-methyl-5-hydroxy-1,4-naphthoquinone', 'http://purl.obolibrary.org/obo/CHEBI_8273', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '2-methyljuglone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:2-methyljuglone', 'http://purl.obolibrary.org/obo/CHEBI_8273', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '5-hydroxy-2-methyl-1,4-naphthalenedione', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:5-hydroxy-2-methyl-1,4-naphthalenedione', 'http://purl.obolibrary.org/obo/CHEBI_8273', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '5-hydroxy-2-methylnaphthalene-1,4-dione', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:5-hydroxy-2-methylnaphthalene-1,4-dione', 'http://purl.obolibrary.org/obo/CHEBI_8273', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'plumbaein', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:plumbaein', 'http://purl.obolibrary.org/obo/CHEBI_8273', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'plumbagine', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:plumbagine', 'http://purl.obolibrary.org/obo/CHEBI_8273', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'plumbagone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:plumbagone', 'http://purl.obolibrary.org/obo/CHEBI_8273', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '1,4-Naphthalenedione, 5-hydroxy-2-methyl-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:481-42-5', 'https://commonchemistry.cas.org/detail?cas_rn=481-42-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '1,4-Naphthoquinone, 5-hydroxy-2-methyl-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:481-42-5', 'https://commonchemistry.cas.org/detail?cas_rn=481-42-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '2-Methyl-5-hydroxy-1,4-naphthalenedione', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:481-42-5', 'https://commonchemistry.cas.org/detail?cas_rn=481-42-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '5-Hydroxy-2-methyl-1,4-naphthoquinone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:481-42-5', 'https://commonchemistry.cas.org/detail?cas_rn=481-42-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 236613', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:481-42-5', 'https://commonchemistry.cas.org/detail?cas_rn=481-42-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 688284', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:481-42-5', 'https://commonchemistry.cas.org/detail?cas_rn=481-42-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=5-hydroxy-2-methyl-1,4-naphthoquinone||dimension=Environmental > media=Water > water_body=Ocean; cas=481-42-5; added Common Chemistry CAS names as altLabel: 1,4-Naphthalenedione, 5-hydroxy-2-methyl-, 1,4-Naphthoquinone, 5-hydroxy-2-methyl-, 2-Methyl-5-hydroxy-1,4-naphthalenedione, 5-Hydroxy-2-methyl-1,4-naphthoquinone, NSC 236613, NSC 688284; object_uuid=fo-d7fafc8a297c424e
cas_match_labels None {'481-42-5': 'exactMatch'} group_key=5-hydroxy-2-methyl-1,4-naphthoquinone||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'481-42-5': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-d7fafc8a297c424e: {'481-42-5': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

{
  "uuid": "263d001d-45d0-4110-a95e-de52dd212e5a",
  "name": null,
  "cas_numbers": [
    "481-42-5"
  ],
  "ec_numbers": [
    "207-569-6"
  ],
  "context": {
    "dimension": "Environmental",
    "media": "Air",
    "strata": "High stack, >150 meters"
  },
  "general_comment": null,
  "synonyms": [],
  "unit": "kg",
  "lcia_methods": [
    {
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      "name": "Ecotoxicity, freshwater",
      "methodology": "Environmental Footprint",
      "impact_category": "Aquatic eco-toxicity",
      "impact_indicator": "Comparative Toxic Unit for ecosystems (CTUe) ",
      "characterization_factor": 74.288
    },
    {
      "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": 74.288
    }
  ],
  "source": "EF 3.1",
  "identifier": "263d001d-45d0-4110-a95e-de52dd212e5a",
  "input_datasets": [
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  ],
  "source_refs": [
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      "source_flow_uuid": "263d001d-45d0-4110-a95e-de52dd212e5a",
      "source_flow_name": "5-hydroxy-2-methyl-1,4-naphthoquinone",
      "source_metadata": {
        "input_file": "/home/cmutel/.local/share/consensus-flow-list/ef-31-flows.json",
        "input_dataset": "EF 3.1",
        "original_context": [
          "Emissions",
          "Emissions to air",
          "Emissions to non-urban air or from high stacks"
        ]
      }
    }
  ],
  "prefLabel": [
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      "@language": "en",
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      }
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  "_sources": {
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    "name": "bootstrap_labels",
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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-air-hist15me",
  "unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
  "properties": {
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      "@value": [
        "C11H8O3"
      ],
      "rdfs:label": "Molecular formula",
      "provenance": [
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          "prov:wasDerivedFrom": "chebi.basic_property_values.generalized_empirical_formula"
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        {
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          "prov:hadPrimarySource": [
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          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        }
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    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
        "CC1=CC(=O)C2=C(C1=O)C=CC=C2O",
        "CC1=CC(=O)c2c(O)cccc2C1=O"
      ],
      "rdfs:label": "SMILES",
      "provenance": [
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          "prov:hadPrimarySource": [
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          "prov:wasDerivedFrom": "chebi.basic_property_values.smiles_string"
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          "prov:wasDerivedFrom": "pubchem.props.SMILES"
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "@value": [
        "InChI=1S/C11H8O3/c1-6-5-9(13)10-7(11(6)14)3-2-4-8(10)12/h2-5,12H,1H3"
      ],
      "rdfs:label": "InChI",
      "provenance": [
        {
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          "prov:hadPrimarySource": [
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          "prov:wasDerivedFrom": "chebi.basic_property_values.inchi_string"
        },
        {
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          "prov:hadPrimarySource": [
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          "prov:wasDerivedFrom": "pubchem.props.InChI"
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "VCMMXZQDRFWYSE-UHFFFAOYSA-N"
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