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Canrenone

UUID c70af57e-77b0-406f-83e2-460b7a1c0777
Flow Object IDfo-d9b8ac69fd43a3c8
Source EF 3.1
Context Environmental → Ground → Agricultural
CAS Numbers 976-71-6
EC Numbers 213-554-5
prefLabel ⓘ
Language Value Provenance
en Canrenone
altLabel ⓘ
Language Value Provenance
en aldadiene
en phanurane
en 11614 R.P.
en 17-Hydroxy-3-oxo-17α-pregna-4,6-diene-21-carboxylic acid lactone
en 17-Hydroxy-3-oxo-17α-pregna-4,6-diene-21-carboxylic acid γ-lactone
en 17α-(2-Carboxyethyl)-17β-hydroxyandrosta-4,6-dien-3-one lactone
en 17α-Pregna-4,6-diene-21-carboxylic acid, 17-hydroxy-3-oxo-, γ-lactone
en 17β-Hydroxy-3-oxopregna-4,6-diene-21-carboxylic acid
en 20-Spiroxa-4,6-diene-3,21-dione
en 3-(17β-Hydroxy-3-oxoandrosta-4,6-dien-17α-yl)propionic acid lactone
en 3-(17β-Hydroxy-3-oxoandrosta-4,6-dien-17α-yl)propionic acid γ-lactone
en 3-(3-Oxo-17β-hydroxy-4,6-androstadien-17α-yl)propionic acid γ-lactone
en 3′-(3-Oxo-17β-hydroxyandrosta-4,6-dien-17α-yl)-propionic acid lactone
en NSC 261713
en Pregna-4,6-diene-21-carboxylic acid, 17-hydroxy-3-oxo-, γ-lactone, (17α)-
en SC 9376
en Spiro[17<em>H</em>-cyclopenta[<em>a</em>]phenanthrene-17,2′(5′<em>H</em>)-furan], pregna-4,6-diene-21-carboxylic acid deriv.
en Spirolactone SC 14266
References
Shared Properties
Predicate Value
Formal charge 0
InChIKey UJVLDDZCTMKXJK-WNHSNXHDSA-N
InChI InChI=1S/C22H28O3/c1-20-9-5-15(23)13-14(20)3-4-16-17(20)6-10-21(2)18(16)7-11-22(21)12-8-19(24)25-22/h3-4,13,16-18H,5-12H2,1-2H3/t16-,17+,18+,20+,21+,22-/m1/s1
IUPAC name (8R,9S,10R,13S,14S,17R)-10,13-dimethylspiro[2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-17,5'-oxolane]-2',3-dione, (8R,9S,10R,13S,14S,17R)-10,13-dimethylspiro[2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-17,5'-tetrahydrofuran]-2',3-dione, (8R,9S,10R,13S,14S,17R)-10,13-dimethylspiro[2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-17,5'-tetrahydrofuran]-2',3-quinone
Molecular formula C22H28O3
Molecular mass 340.463
Monoisotopic mass 340.20384
SMILES CC12CCC(=O)C=C1C=CC3C2CCC4(C3CCC45CCC(=O)O5)C, C[C@]12CCC(=O)C=C1C=C[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@]45CCC(=O)O5)C, [H][C@@]12C=CC3=CC(=O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@]3(CCC(=O)O3)CC[C@@]21[H]

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 c70af57e-77b0-406f-83e2-460b7a1c0777 10,13-dimethyl-1,8,9,10,11,12,13,14,15,16-decahydro-3'h-spiro[cyclopenta[a]phenanthrene-17,2'-furan]-3,5'(2h,4'h)-dione

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 10,13-dimethyl-1,8,9,10,11,12,13,14,15,16-decahydro-3'h-spiro[cyclopenta[a]phenanthrene-17,2'-furan]-3,5'(2h,4'h)-dione Emissions/Emissions to soil/Emissions to agricultural soil 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=10,13-dimethyl-1,8,9,10,11,12,13,14,15,16-decahydro-3'h-spiro[cyclopenta[a]phenanthrene-17,2'-furan]-3,5'(2h,4'h)-dione||dimension=Environmental > media=Air > indoor=Unknown; cas=976-71-6; added Common Chemistry CAS names as altLabel: 11614 R.P., 17-Hydroxy-3-oxo-17α-pregna-4,6-diene-21-carboxylic acid lactone, 17-Hydroxy-3-oxo-17α-pregna-4,6-diene-21-carboxylic acid γ-lactone, 17α-(2-Carboxyethyl)-17β-hydroxyandrosta-4,6-dien-3-one lactone, 17α-Pregna-4,6-diene-21-carboxylic acid, 17-hydroxy-3-oxo-, γ-lactone, 17β-Hydroxy-3-oxopregna-4,6-diene-21-carboxylic acid, 20-Spiroxa-4,6-diene-3,21-dione, 3-(17β-Hydroxy-3-oxoandrosta-4,6-dien-17α-yl)propionic acid lactone, 3-(17β-Hydroxy-3-oxoandrosta-4,6-dien-17α-yl)propionic acid γ-lactone, 3-(3-Oxo-17β-hydroxy-4,6-androstadien-17α-yl)propionic acid γ-lactone, 3′-(3-Oxo-17β-hydroxyandrosta-4,6-dien-17α-yl)-propionic acid lactone, NSC 261713, Pregna-4,6-diene-21-carboxylic acid, 17-hydroxy-3-oxo-, γ-lactone, (17α)-, SC 9376, Spiro[17<em>H</em>-cyclopenta[<em>a</em>]phenanthrene-17,2′(5′<em>H</em>)-furan], pregna-4,6-diene-21-carboxylic acid deriv., Spirolactone SC 14266; object_uuid=fo-d9b8ac69fd43a3c8
cas_match_labels 1 — consensus_match group_key=10,13-dimethyl-1,8,9,10,11,12,13,14,15,16-decahydro-3'h-spiro[cyclopenta[a]phenanthrene-17,2'-furan]-3,5'(2h,4'h)-dione||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['chebi', 'ec_inventory']; cas_sources={'976-71-6': ['chebi', 'ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-d9b8ac69fd43a3c8: {'976-71-6': 'exactMatch'}
prefLabel 1 — consensus_match cas=976-71-6; cc_chebi_agreed_name='Canrenone'; object_uuid=fo-d9b8ac69fd43a3c8

Context Attributes

AttributeValue
dimensionEnvironmental
mediaGround
geographyAgricultural

Consensus Changes

Field Old Value New Value Comment
prefLabel [{'@value': "10,13-dimethyl-1,8,9,10,11,12,13,14,15,16-decahydro-3'h-spiro[cyclopenta[a]phenanthrene-17,2'-furan]-3,5'(2h,4'h)-dione", '@language': 'en', 'source': {'prov:wasGeneratedBy': 'bootstrap_labels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['EF 3.1'], 'prov:wasDerivedFrom': 'legacy name field'}}] [{'@value': 'Canrenone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:976-71-6'], 'prov:wasDerivedFrom': 'Common Chemistry / ChEBI primary name agreement'}}] cas=976-71-6; cc_chebi_agreed_name='Canrenone'; object_uuid=fo-d9b8ac69fd43a3c8
altLabel [{'@value': 'aldadiene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:aldadiene', 'http://purl.obolibrary.org/obo/CHEBI_135445', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'phanurane', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:phanurane', 'http://purl.obolibrary.org/obo/CHEBI_135445', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}] [{'@value': 'aldadiene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:aldadiene', 'http://purl.obolibrary.org/obo/CHEBI_135445', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'phanurane', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:phanurane', 'http://purl.obolibrary.org/obo/CHEBI_135445', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': "10,13-dimethyl-1,8,9,10,11,12,13,14,15,16-decahydro-3'h-spiro[cyclopenta[a]phenanthrene-17,2'-furan]-3,5'(2h,4'h)-dione", '@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=976-71-6; added original name as altLabel after CC/ChEBI rename; object_uuid=fo-d9b8ac69fd43a3c8
altLabel [{'@value': 'aldadiene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:aldadiene', 'http://purl.obolibrary.org/obo/CHEBI_135445', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'phanurane', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:phanurane', 'http://purl.obolibrary.org/obo/CHEBI_135445', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': "10,13-dimethyl-1,8,9,10,11,12,13,14,15,16-decahydro-3'h-spiro[cyclopenta[a]phenanthrene-17,2'-furan]-3,5'(2h,4'h)-dione", '@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': 'aldadiene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:aldadiene', 'http://purl.obolibrary.org/obo/CHEBI_135445', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'phanurane', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:phanurane', 'http://purl.obolibrary.org/obo/CHEBI_135445', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '11614 R.P.', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:976-71-6', 'https://commonchemistry.cas.org/detail?cas_rn=976-71-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '17-Hydroxy-3-oxo-17α-pregna-4,6-diene-21-carboxylic acid lactone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:976-71-6', 'https://commonchemistry.cas.org/detail?cas_rn=976-71-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '17-Hydroxy-3-oxo-17α-pregna-4,6-diene-21-carboxylic acid γ-lactone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:976-71-6', 'https://commonchemistry.cas.org/detail?cas_rn=976-71-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '17α-(2-Carboxyethyl)-17β-hydroxyandrosta-4,6-dien-3-one lactone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:976-71-6', 'https://commonchemistry.cas.org/detail?cas_rn=976-71-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '17α-Pregna-4,6-diene-21-carboxylic acid, 17-hydroxy-3-oxo-, γ-lactone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:976-71-6', 'https://commonchemistry.cas.org/detail?cas_rn=976-71-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '17β-Hydroxy-3-oxopregna-4,6-diene-21-carboxylic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:976-71-6', 'https://commonchemistry.cas.org/detail?cas_rn=976-71-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '20-Spiroxa-4,6-diene-3,21-dione', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:976-71-6', 'https://commonchemistry.cas.org/detail?cas_rn=976-71-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '3-(17β-Hydroxy-3-oxoandrosta-4,6-dien-17α-yl)propionic acid lactone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:976-71-6', 'https://commonchemistry.cas.org/detail?cas_rn=976-71-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '3-(17β-Hydroxy-3-oxoandrosta-4,6-dien-17α-yl)propionic acid γ-lactone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:976-71-6', 'https://commonchemistry.cas.org/detail?cas_rn=976-71-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '3-(3-Oxo-17β-hydroxy-4,6-androstadien-17α-yl)propionic acid γ-lactone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:976-71-6', 'https://commonchemistry.cas.org/detail?cas_rn=976-71-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '3′-(3-Oxo-17β-hydroxyandrosta-4,6-dien-17α-yl)-propionic acid lactone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:976-71-6', 'https://commonchemistry.cas.org/detail?cas_rn=976-71-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 261713', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:976-71-6', 'https://commonchemistry.cas.org/detail?cas_rn=976-71-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Pregna-4,6-diene-21-carboxylic acid, 17-hydroxy-3-oxo-, γ-lactone, (17α)-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:976-71-6', 'https://commonchemistry.cas.org/detail?cas_rn=976-71-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'SC 9376', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:976-71-6', 'https://commonchemistry.cas.org/detail?cas_rn=976-71-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Spiro[17<em>H</em>-cyclopenta[<em>a</em>]phenanthrene-17,2′(5′<em>H</em>)-furan], pregna-4,6-diene-21-carboxylic acid deriv.', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:976-71-6', 'https://commonchemistry.cas.org/detail?cas_rn=976-71-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Spirolactone SC 14266', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:976-71-6', 'https://commonchemistry.cas.org/detail?cas_rn=976-71-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=10,13-dimethyl-1,8,9,10,11,12,13,14,15,16-decahydro-3'h-spiro[cyclopenta[a]phenanthrene-17,2'-furan]-3,5'(2h,4'h)-dione||dimension=Environmental > media=Air > indoor=Unknown; cas=976-71-6; added Common Chemistry CAS names as altLabel: 11614 R.P., 17-Hydroxy-3-oxo-17α-pregna-4,6-diene-21-carboxylic acid lactone, 17-Hydroxy-3-oxo-17α-pregna-4,6-diene-21-carboxylic acid γ-lactone, 17α-(2-Carboxyethyl)-17β-hydroxyandrosta-4,6-dien-3-one lactone, 17α-Pregna-4,6-diene-21-carboxylic acid, 17-hydroxy-3-oxo-, γ-lactone, 17β-Hydroxy-3-oxopregna-4,6-diene-21-carboxylic acid, 20-Spiroxa-4,6-diene-3,21-dione, 3-(17β-Hydroxy-3-oxoandrosta-4,6-dien-17α-yl)propionic acid lactone, 3-(17β-Hydroxy-3-oxoandrosta-4,6-dien-17α-yl)propionic acid γ-lactone, 3-(3-Oxo-17β-hydroxy-4,6-androstadien-17α-yl)propionic acid γ-lactone, 3′-(3-Oxo-17β-hydroxyandrosta-4,6-dien-17α-yl)-propionic acid lactone, NSC 261713, Pregna-4,6-diene-21-carboxylic acid, 17-hydroxy-3-oxo-, γ-lactone, (17α)-, SC 9376, Spiro[17<em>H</em>-cyclopenta[<em>a</em>]phenanthrene-17,2′(5′<em>H</em>)-furan], pregna-4,6-diene-21-carboxylic acid deriv., Spirolactone SC 14266; object_uuid=fo-d9b8ac69fd43a3c8
cas_match_labels None {'976-71-6': 'exactMatch'} group_key=10,13-dimethyl-1,8,9,10,11,12,13,14,15,16-decahydro-3'h-spiro[cyclopenta[a]phenanthrene-17,2'-furan]-3,5'(2h,4'h)-dione||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['chebi', 'ec_inventory']; cas_sources={'976-71-6': ['chebi', 'ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-d9b8ac69fd43a3c8: {'976-71-6': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

{
  "uuid": "c70af57e-77b0-406f-83e2-460b7a1c0777",
  "name": null,
  "cas_numbers": [
    "976-71-6"
  ],
  "ec_numbers": [
    "213-554-5"
  ],
  "context": {
    "dimension": "Environmental",
    "media": "Ground",
    "geography": "Agricultural"
  },
  "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": 104.28
    },
    {
      "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": 104.28
    }
  ],
  "source": "EF 3.1",
  "identifier": "c70af57e-77b0-406f-83e2-460b7a1c0777",
  "input_datasets": [
    "EF 3.1"
  ],
  "source_refs": [
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      "list_version": "3.1",
      "source_flow_uuid": "c70af57e-77b0-406f-83e2-460b7a1c0777",
      "source_flow_name": "10,13-dimethyl-1,8,9,10,11,12,13,14,15,16-decahydro-3'h-spiro[cyclopenta[a]phenanthrene-17,2'-furan]-3,5'(2h,4'h)-dione",
      "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 agricultural soil"
        ]
      }
    }
  ],
  "prefLabel": [
    {
      "@value": "Canrenone",
      "@language": "en",
      "source": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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      }
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  ],
  "_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": "consensus_match",
    "cas_match_labels": "consensus_match"
  },
  "context_iri": "https://vocab.brightway.one/flow-contexts/envi-grou-agri",
  "unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C22H28O3"
      ],
      "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:13789"
          ],
          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
        "CC12CCC(=O)C=C1C=CC3C2CCC4(C3CCC45CCC(=O)O5)C",
        "C[C@]12CCC(=O)C=C1C=C[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@]45CCC(=O)O5)C",
        "[H][C@@]12C=CC3=CC(=O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@]3(CCC(=O)O3)CC[C@@]21[H]"
      ],
      "rdfs:label": "SMILES",
      "provenance": [
        {
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