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epsilon-CAPROLACTONE

UUID 382e4353-d36c-46eb-9440-854ea489f2c7
Deprecated yes
Replaced By 50b2e23c-a6e5-4cb9-a0ef-37e2a140b5a4
Flow Object IDfo-65a66255ca9db827
Source EF 3.1
Context Environmental → Water → Unknown
CAS Numbers 502-44-3
EC Numbers 207-938-1
prefLabel
Language Value Provenance
en epsilon-CAPROLACTONE
altLabel ⓘ
Language Value Provenance
en 1,6-hexanolide
en 1-Oxa-2-oxocycloheptane
en 2-Oxepanone
en 2-oxacycloheptanone
en 2-oxohexamethylene oxide
en 6-Hexanolide
en 6-hexanolactone
en 6-hydroxyhexanoic acid lactone
en 6-hydroxyhexanoic acid, epsilon-lactone
en caprolactone
en epsilon-caprolactone monomer
en hexan-6-olide
en hexano-6-lactone
en hexanoic acid, epsilon-lactone
en 2-Oxooxopane
en C 0702
en Caprolactone A
en Hexamethylene oxide, 2-oxo-
en Hexanoic acid, 6-hydroxy-, lactone
en Hexanoic acid, 6-hydroxy-, ε-lactone
en Nyrim 1 Additive 6
en Placcel M
en Tone ECEQ
en Tone Monomer EC
en ε-Caprolactone
en ε-Hexanolactone
en Oxepan-2-one
Definitions
Language Value Provenance
en A ε-lactone that is oxepane substituted by an oxo group at position 2.
References
Shared Properties
Predicate Value
Formal charge 0
InChIKey PAPBSGBWRJIAAV-UHFFFAOYSA-N
InChI InChI=1S/C6H10O2/c7-6-4-2-1-3-5-8-6/h1-5H2
IUPAC name 2-oxepanone, oxepan-2-one
Molecular formula C6H10O2
Molecular mass 114.144
Monoisotopic mass 114.06808
SMILES C1CCC(=O)OCC1, O=C1CCCCCO1

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 382e4353-d36c-46eb-9440-854ea489f2c7 oxepan-2-one

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=oxepan-2-one||dimension=Environmental > media=Ground > geography=Agricultural; cas=502-44-3; added Common Chemistry CAS names as altLabel: 2-Oxooxopane, C 0702, Caprolactone A, Hexamethylene oxide, 2-oxo-, Hexanoic acid, 6-hydroxy-, lactone, Hexanoic acid, 6-hydroxy-, ε-lactone, Nyrim 1 Additive 6, Placcel M, Tone ECEQ, Tone Monomer EC, ε-Caprolactone, ε-Hexanolactone; object_uuid=fo-65a66255ca9db827
cas_match_labels 1 — consensus_match group_key=oxepan-2-one||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'502-44-3': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-65a66255ca9db827: {'502-44-3': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaWater
water_bodyUnknown

Consensus Changes

Field Old Value New Value Comment
altLabel [{'@value': '1,6-hexanolide', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:1,6-hexanolide', 'http://purl.obolibrary.org/obo/CHEBI_17915', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '1-Oxa-2-oxocycloheptane', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:1-Oxa-2-oxocycloheptane', 'http://purl.obolibrary.org/obo/CHEBI_17915', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '2-Oxepanone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:2-Oxepanone', 'http://purl.obolibrary.org/obo/CHEBI_17915', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '2-oxacycloheptanone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:2-oxacycloheptanone', 'http://purl.obolibrary.org/obo/CHEBI_17915', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '2-oxohexamethylene oxide', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:2-oxohexamethylene oxide', 'http://purl.obolibrary.org/obo/CHEBI_17915', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '6-Hexanolide', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:6-Hexanolide', 'http://purl.obolibrary.org/obo/CHEBI_17915', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '6-hexanolactone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:6-hexanolactone', 'http://purl.obolibrary.org/obo/CHEBI_17915', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '6-hydroxyhexanoic acid lactone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:6-hydroxyhexanoic acid lactone', 'http://purl.obolibrary.org/obo/CHEBI_17915', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '6-hydroxyhexanoic acid, epsilon-lactone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:6-hydroxyhexanoic acid, epsilon-lactone', 'http://purl.obolibrary.org/obo/CHEBI_17915', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'caprolactone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:caprolactone', 'http://purl.obolibrary.org/obo/CHEBI_17915', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'epsilon-Caprolactone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:epsilon-Caprolactone', 'http://purl.obolibrary.org/obo/CHEBI_17915', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'epsilon-caprolactone monomer', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:epsilon-caprolactone monomer', 'http://purl.obolibrary.org/obo/CHEBI_17915', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'hexan-6-olide', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:hexan-6-olide', 'http://purl.obolibrary.org/obo/CHEBI_17915', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'hexano-6-lactone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:hexano-6-lactone', 'http://purl.obolibrary.org/obo/CHEBI_17915', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'hexanoic acid, epsilon-lactone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:hexanoic acid, epsilon-lactone', 'http://purl.obolibrary.org/obo/CHEBI_17915', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}] [{'@value': '1,6-hexanolide', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:1,6-hexanolide', 'http://purl.obolibrary.org/obo/CHEBI_17915', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '1-Oxa-2-oxocycloheptane', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:1-Oxa-2-oxocycloheptane', 'http://purl.obolibrary.org/obo/CHEBI_17915', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '2-Oxepanone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:2-Oxepanone', 'http://purl.obolibrary.org/obo/CHEBI_17915', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '2-oxacycloheptanone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:2-oxacycloheptanone', 'http://purl.obolibrary.org/obo/CHEBI_17915', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '2-oxohexamethylene oxide', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:2-oxohexamethylene oxide', 'http://purl.obolibrary.org/obo/CHEBI_17915', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '6-Hexanolide', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:6-Hexanolide', 'http://purl.obolibrary.org/obo/CHEBI_17915', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '6-hexanolactone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:6-hexanolactone', 'http://purl.obolibrary.org/obo/CHEBI_17915', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '6-hydroxyhexanoic acid lactone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:6-hydroxyhexanoic acid lactone', 'http://purl.obolibrary.org/obo/CHEBI_17915', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '6-hydroxyhexanoic acid, epsilon-lactone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:6-hydroxyhexanoic acid, epsilon-lactone', 'http://purl.obolibrary.org/obo/CHEBI_17915', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'caprolactone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:caprolactone', 'http://purl.obolibrary.org/obo/CHEBI_17915', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'epsilon-Caprolactone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:epsilon-Caprolactone', 'http://purl.obolibrary.org/obo/CHEBI_17915', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'epsilon-caprolactone monomer', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:epsilon-caprolactone monomer', 'http://purl.obolibrary.org/obo/CHEBI_17915', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'hexan-6-olide', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:hexan-6-olide', 'http://purl.obolibrary.org/obo/CHEBI_17915', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'hexano-6-lactone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:hexano-6-lactone', 'http://purl.obolibrary.org/obo/CHEBI_17915', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'hexanoic acid, epsilon-lactone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:hexanoic acid, epsilon-lactone', 'http://purl.obolibrary.org/obo/CHEBI_17915', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '2-Oxooxopane', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:502-44-3', 'https://commonchemistry.cas.org/detail?cas_rn=502-44-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'C 0702', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:502-44-3', 'https://commonchemistry.cas.org/detail?cas_rn=502-44-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Caprolactone A', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:502-44-3', 'https://commonchemistry.cas.org/detail?cas_rn=502-44-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Hexamethylene oxide, 2-oxo-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:502-44-3', 'https://commonchemistry.cas.org/detail?cas_rn=502-44-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Hexanoic acid, 6-hydroxy-, lactone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:502-44-3', 'https://commonchemistry.cas.org/detail?cas_rn=502-44-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Hexanoic acid, 6-hydroxy-, ε-lactone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:502-44-3', 'https://commonchemistry.cas.org/detail?cas_rn=502-44-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Nyrim 1 Additive 6', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:502-44-3', 'https://commonchemistry.cas.org/detail?cas_rn=502-44-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Placcel M', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:502-44-3', 'https://commonchemistry.cas.org/detail?cas_rn=502-44-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Tone ECEQ', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:502-44-3', 'https://commonchemistry.cas.org/detail?cas_rn=502-44-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Tone Monomer EC', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:502-44-3', 'https://commonchemistry.cas.org/detail?cas_rn=502-44-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'ε-Caprolactone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:502-44-3', 'https://commonchemistry.cas.org/detail?cas_rn=502-44-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'ε-Hexanolactone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:502-44-3', 'https://commonchemistry.cas.org/detail?cas_rn=502-44-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=oxepan-2-one||dimension=Environmental > media=Ground > geography=Agricultural; cas=502-44-3; added Common Chemistry CAS names as altLabel: 2-Oxooxopane, C 0702, Caprolactone A, Hexamethylene oxide, 2-oxo-, Hexanoic acid, 6-hydroxy-, lactone, Hexanoic acid, 6-hydroxy-, ε-lactone, Nyrim 1 Additive 6, Placcel M, Tone ECEQ, Tone Monomer EC, ε-Caprolactone, ε-Hexanolactone; object_uuid=fo-65a66255ca9db827
cas_match_labels None {'502-44-3': 'exactMatch'} group_key=oxepan-2-one||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'502-44-3': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-65a66255ca9db827: {'502-44-3': '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": [
    "502-44-3"
  ],
  "ec_numbers": [
    "207-938-1"
  ],
  "context": {
    "dimension": "Environmental",
    "media": "Water",
    "water_body": "Unknown"
  },
  "general_comment": null,
  "synonyms": [],
  "unit": "kg",
  "lcia_methods": [],
  "source": "EF 3.1",
  "identifier": "382e4353-d36c-46eb-9440-854ea489f2c7",
  "input_datasets": [
    "EF 3.1"
  ],
  "source_refs": [
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      "list_name": "EF",
      "list_version": "3.1",
      "source_flow_uuid": "382e4353-d36c-46eb-9440-854ea489f2c7",
      "source_flow_name": "oxepan-2-one",
      "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 water, unspecified (long-term)"
        ]
      }
    }
  ],
  "prefLabel": [
    {
      "@value": "epsilon-CAPROLACTONE",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "pubchem_readable_name",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "CID:10401"
        ],
        "prov:wasDerivedFrom": "pubchem record title"
      }
    }
  ],
  "_sources": {
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    "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": "pubchem_readable_name",
    "cas_match_labels": "consensus_match"
  },
  "context_iri": "https://vocab.brightway.one/flow-contexts/envi-wate-unkn",
  "unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C6H10O2"
      ],
      "rdfs:label": "Molecular formula",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.chebi_semantic",
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        {
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          "prov:hadPrimarySource": [
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          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
        "C1CCC(=O)OCC1",
        "O=C1CCCCCO1"
      ],
      "rdfs:label": "SMILES",
      "provenance": [
        {
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          "prov:wasDerivedFrom": "chebi.basic_property_values.smiles_string"
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        {
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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/C6H10O2/c7-6-4-2-1-3-5-8-6/h1-5H2"
      ],
      "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": [
        "PAPBSGBWRJIAAV-UHFFFAOYSA-N"
      ],
      "rdfs:label": "InChIKey",
      "provenance": [
        {
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          "prov:wasDerivedFrom": "pubchem.props.InChIKey"
        }
      ]
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
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