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cis-Chlordane

UUID 0a48bf15-666f-4ebb-8ffd-30b3b696871d
Flow Object IDfo-6657f576b7053470
Source EF 3.1
Context Environmental → Ground → Unknown
CAS Numbers 5103-71-9
EC Numbers 225-825-5
prefLabel
Language Value Provenance
en cis-Chlordane
altLabel ⓘ
Language Value Provenance
en (1R,2R,3S,4R,6R,7S)-1,3,4,7,8,9,10,10-octachlorotricyclo[5.2.1.0(2,6)]dec-8-ene
en (1S,2S,3aS,4S,7R,7aR)-1,2,4,5,6,7,8,8-octachloro-2,3,3a,4,7,7a-hexahydro-1H-4,7-methanoindene
en (1alpha,2alpha,3aalpha,4beta,7beta,7aalpha)-1,2,4,5,6,7,8,8-octachloro-2,3,3a,4,7,7a-hexahydro-4,7-methano-1H-indene
en alpha-Chlordane
en (±)-<em>cis</em>-Chlordane
en 4,7-Methano-1<em>H</em>-indene, 1,2,4,5,6,7,8,8-octachloro-2,3,3a,4,7,7a-hexahydro-, (1<em>R</em>,2<em>S</em>,3a<em>S</em>,4<em>S</em>,7<em>R</em>,7a<em>S</em>)-<em>rel</em>-
en 4,7-Methano-1<em>H</em>-indene, 1,2,4,5,6,7,8,8-octachloro-2,3,3a,4,7,7a-hexahydro-, (1α,2α,3aα,4β,7β,7aα)-
en 4,7-Methanoindan, 1α,2α,4β,5,6,7β,8,8-octachloro-3aα,4,7,7aα-tetrahydro-
en <em>cis</em>-1,2,4,5,6,7,8,8-Octachloro-3a,4,7,7a-tetrahydro-4,7-<em>endo</em>-methanoindan
en <em>cis</em>-Chlordan
en <em>cis</em>-Chlordane
en <em>cis</em>-α-Chlordane
en <em>rel</em>-(1<em>R</em>,2<em>S</em>,3a<em>S</em>,4<em>S</em>,7<em>R</em>,7a<em>S</em>)-1,2,4,5,6,7,8,8-Octachloro-2,3,3a,4,7,7a-hexahydro-4,7-methano-1<em>H</em>-indene
en Chlordan, <em>cis</em>-
en α-Chlordan
en α-Chlordane
en (1α,2α,3aα,4β,7β,7aα)-1,2,4,5,6,7,8,8-octachloro-2,3,3a,4,7,7a-hexahydro-4,7-methano-1H-indene
References
Shared Properties
Predicate Value
Formal charge 0
InChIKey BIWJNBZANLAXMG-IDTQJTQFSA-N
InChI InChI=1S/C10H6Cl8/c11-3-1-2-4(5(3)12)9(16)7(14)6(13)8(2,15)10(9,17)18/h2-5H,1H2/t2-,3-,4-,5-,8+,9-/m1/s1
IUPAC name (1R,2R,3S,4R,6R,7S)-1,3,4,7,8,9,10,10-octachlorotricyclo[5.2.1.02,6]dec-8-ene, (1R,2R,3S,4R,6R,7S)-1,3,4,7,8,9,10,10-octakis(chloranyl)tricyclo[5.2.1.02,6]dec-8-ene
Molecular formula C10H6Cl8
Molecular mass 409.782
Monoisotopic mass 405.79777
SMILES C1C2C(C(C1Cl)Cl)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl, C1[C@@H]2[C@H]([C@@H]([C@@H]1Cl)Cl)[C@]3(C(=C([C@@]2(C3(Cl)Cl)Cl)Cl)Cl)Cl, [H][C@@]12C[C@@H](Cl)[C@@H](Cl)[C@]1([H])[C@@]1(Cl)C(Cl)=C(Cl)[C@]2(Cl)C1(Cl)Cl

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 0a48bf15-666f-4ebb-8ffd-30b3b696871d (1α,2α,3aα,4β,7β,7aα)-1,2,4,5,6,7,8,8-octachloro-2,3,3a,4,7,7a-hexahydro-4,7-methano-1H-indene

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 (1α,2α,3aα,4β,7β,7aα)-1,2,4,5,6,7,8,8-octachloro-2,3,3a,4,7,7a-hexahydro-4,7-methano-1H-indene Emissions/Emissions to soil/Emissions to soil, unspecified kg exactMatch —

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=(1α,2α,3aα,4β,7β,7aα)-1,2,4,5,6,7,8,8-octachloro-2,3,3a,4,7,7a-hexahydro-4,7-methano-1h-indene||dimension=Environmental > media=Ground > geography=Unknown; cas=5103-71-9; added Common Chemistry CAS names as altLabel: (±)-<em>cis</em>-Chlordane, 4,7-Methano-1<em>H</em>-indene, 1,2,4,5,6,7,8,8-octachloro-2,3,3a,4,7,7a-hexahydro-, (1<em>R</em>,2<em>S</em>,3a<em>S</em>,4<em>S</em>,7<em>R</em>,7a<em>S</em>)-<em>rel</em>-, 4,7-Methano-1<em>H</em>-indene, 1,2,4,5,6,7,8,8-octachloro-2,3,3a,4,7,7a-hexahydro-, (1α,2α,3aα,4β,7β,7aα)-, 4,7-Methanoindan, 1α,2α,4β,5,6,7β,8,8-octachloro-3aα,4,7,7aα-tetrahydro-, <em>cis</em>-1,2,4,5,6,7,8,8-Octachloro-3a,4,7,7a-tetrahydro-4,7-<em>endo</em>-methanoindan, <em>cis</em>-Chlordan, <em>cis</em>-Chlordane, <em>cis</em>-α-Chlordane, <em>rel</em>-(1<em>R</em>,2<em>S</em>,3a<em>S</em>,4<em>S</em>,7<em>R</em>,7a<em>S</em>)-1,2,4,5,6,7,8,8-Octachloro-2,3,3a,4,7,7a-hexahydro-4,7-methano-1<em>H</em>-indene, Chlordan, <em>cis</em>-, α-Chlordan, α-Chlordane; object_uuid=fo-6657f576b7053470
cas_match_labels 1 — consensus_match group_key=(1α,2α,3aα,4β,7β,7aα)-1,2,4,5,6,7,8,8-octachloro-2,3,3a,4,7,7a-hexahydro-4,7-methano-1h-indene||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['chebi', 'ec_inventory']; cas_sources={'5103-71-9': ['chebi', 'ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-6657f576b7053470: {'5103-71-9': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaGround
geographyUnknown

Consensus Changes

Field Old Value New Value Comment
altLabel [{'@value': '(1R,2R,3S,4R,6R,7S)-1,3,4,7,8,9,10,10-octachlorotricyclo[5.2.1.0(2,6)]dec-8-ene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:(1R,2R,3S,4R,6R,7S)-1,3,4,7,8,9,10,10-octachlorotricyclo[5.2.1.0(2,6)]dec-8-ene', 'http://purl.obolibrary.org/obo/CHEBI_39068', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '(1S,2S,3aS,4S,7R,7aR)-1,2,4,5,6,7,8,8-octachloro-2,3,3a,4,7,7a-hexahydro-1H-4,7-methanoindene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:(1S,2S,3aS,4S,7R,7aR)-1,2,4,5,6,7,8,8-octachloro-2,3,3a,4,7,7a-hexahydro-1H-4,7-methanoindene', 'http://purl.obolibrary.org/obo/CHEBI_39068', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '(1alpha,2alpha,3aalpha,4beta,7beta,7aalpha)-1,2,4,5,6,7,8,8-octachloro-2,3,3a,4,7,7a-hexahydro-4,7-methano-1H-indene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:(1alpha,2alpha,3aalpha,4beta,7beta,7aalpha)-1,2,4,5,6,7,8,8-octachloro-2,3,3a,4,7,7a-hexahydro-4,7-methano-1H-indene', 'http://purl.obolibrary.org/obo/CHEBI_39068', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'alpha-Chlordane', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:alpha-Chlordane', 'http://purl.obolibrary.org/obo/CHEBI_39068', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}] [{'@value': '(1R,2R,3S,4R,6R,7S)-1,3,4,7,8,9,10,10-octachlorotricyclo[5.2.1.0(2,6)]dec-8-ene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:(1R,2R,3S,4R,6R,7S)-1,3,4,7,8,9,10,10-octachlorotricyclo[5.2.1.0(2,6)]dec-8-ene', 'http://purl.obolibrary.org/obo/CHEBI_39068', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '(1S,2S,3aS,4S,7R,7aR)-1,2,4,5,6,7,8,8-octachloro-2,3,3a,4,7,7a-hexahydro-1H-4,7-methanoindene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:(1S,2S,3aS,4S,7R,7aR)-1,2,4,5,6,7,8,8-octachloro-2,3,3a,4,7,7a-hexahydro-1H-4,7-methanoindene', 'http://purl.obolibrary.org/obo/CHEBI_39068', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '(1alpha,2alpha,3aalpha,4beta,7beta,7aalpha)-1,2,4,5,6,7,8,8-octachloro-2,3,3a,4,7,7a-hexahydro-4,7-methano-1H-indene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:(1alpha,2alpha,3aalpha,4beta,7beta,7aalpha)-1,2,4,5,6,7,8,8-octachloro-2,3,3a,4,7,7a-hexahydro-4,7-methano-1H-indene', 'http://purl.obolibrary.org/obo/CHEBI_39068', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'alpha-Chlordane', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:alpha-Chlordane', 'http://purl.obolibrary.org/obo/CHEBI_39068', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '(±)-<em>cis</em>-Chlordane', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:5103-71-9', 'https://commonchemistry.cas.org/detail?cas_rn=5103-71-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '4,7-Methano-1<em>H</em>-indene, 1,2,4,5,6,7,8,8-octachloro-2,3,3a,4,7,7a-hexahydro-, (1<em>R</em>,2<em>S</em>,3a<em>S</em>,4<em>S</em>,7<em>R</em>,7a<em>S</em>)-<em>rel</em>-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:5103-71-9', 'https://commonchemistry.cas.org/detail?cas_rn=5103-71-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '4,7-Methano-1<em>H</em>-indene, 1,2,4,5,6,7,8,8-octachloro-2,3,3a,4,7,7a-hexahydro-, (1α,2α,3aα,4β,7β,7aα)-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:5103-71-9', 'https://commonchemistry.cas.org/detail?cas_rn=5103-71-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '4,7-Methanoindan, 1α,2α,4β,5,6,7β,8,8-octachloro-3aα,4,7,7aα-tetrahydro-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:5103-71-9', 'https://commonchemistry.cas.org/detail?cas_rn=5103-71-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>cis</em>-1,2,4,5,6,7,8,8-Octachloro-3a,4,7,7a-tetrahydro-4,7-<em>endo</em>-methanoindan', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:5103-71-9', 'https://commonchemistry.cas.org/detail?cas_rn=5103-71-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>cis</em>-Chlordan', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:5103-71-9', 'https://commonchemistry.cas.org/detail?cas_rn=5103-71-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>cis</em>-Chlordane', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:5103-71-9', 'https://commonchemistry.cas.org/detail?cas_rn=5103-71-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>cis</em>-α-Chlordane', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:5103-71-9', 'https://commonchemistry.cas.org/detail?cas_rn=5103-71-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>rel</em>-(1<em>R</em>,2<em>S</em>,3a<em>S</em>,4<em>S</em>,7<em>R</em>,7a<em>S</em>)-1,2,4,5,6,7,8,8-Octachloro-2,3,3a,4,7,7a-hexahydro-4,7-methano-1<em>H</em>-indene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:5103-71-9', 'https://commonchemistry.cas.org/detail?cas_rn=5103-71-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Chlordan, <em>cis</em>-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:5103-71-9', 'https://commonchemistry.cas.org/detail?cas_rn=5103-71-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'α-Chlordan', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:5103-71-9', 'https://commonchemistry.cas.org/detail?cas_rn=5103-71-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'α-Chlordane', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:5103-71-9', 'https://commonchemistry.cas.org/detail?cas_rn=5103-71-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=(1α,2α,3aα,4β,7β,7aα)-1,2,4,5,6,7,8,8-octachloro-2,3,3a,4,7,7a-hexahydro-4,7-methano-1h-indene||dimension=Environmental > media=Ground > geography=Unknown; cas=5103-71-9; added Common Chemistry CAS names as altLabel: (±)-<em>cis</em>-Chlordane, 4,7-Methano-1<em>H</em>-indene, 1,2,4,5,6,7,8,8-octachloro-2,3,3a,4,7,7a-hexahydro-, (1<em>R</em>,2<em>S</em>,3a<em>S</em>,4<em>S</em>,7<em>R</em>,7a<em>S</em>)-<em>rel</em>-, 4,7-Methano-1<em>H</em>-indene, 1,2,4,5,6,7,8,8-octachloro-2,3,3a,4,7,7a-hexahydro-, (1α,2α,3aα,4β,7β,7aα)-, 4,7-Methanoindan, 1α,2α,4β,5,6,7β,8,8-octachloro-3aα,4,7,7aα-tetrahydro-, <em>cis</em>-1,2,4,5,6,7,8,8-Octachloro-3a,4,7,7a-tetrahydro-4,7-<em>endo</em>-methanoindan, <em>cis</em>-Chlordan, <em>cis</em>-Chlordane, <em>cis</em>-α-Chlordane, <em>rel</em>-(1<em>R</em>,2<em>S</em>,3a<em>S</em>,4<em>S</em>,7<em>R</em>,7a<em>S</em>)-1,2,4,5,6,7,8,8-Octachloro-2,3,3a,4,7,7a-hexahydro-4,7-methano-1<em>H</em>-indene, Chlordan, <em>cis</em>-, α-Chlordan, α-Chlordane; object_uuid=fo-6657f576b7053470
cas_match_labels None {'5103-71-9': 'exactMatch'} group_key=(1α,2α,3aα,4β,7β,7aα)-1,2,4,5,6,7,8,8-octachloro-2,3,3a,4,7,7a-hexahydro-4,7-methano-1h-indene||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['chebi', 'ec_inventory']; cas_sources={'5103-71-9': ['chebi', 'ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-6657f576b7053470: {'5103-71-9': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

{
  "uuid": "0a48bf15-666f-4ebb-8ffd-30b3b696871d",
  "name": null,
  "cas_numbers": [
    "5103-71-9"
  ],
  "ec_numbers": [
    "225-825-5"
  ],
  "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": 7819.8
    },
    {
      "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": 7819.8
    }
  ],
  "source": "EF 3.1",
  "identifier": "0a48bf15-666f-4ebb-8ffd-30b3b696871d",
  "input_datasets": [
    "EF 3.1"
  ],
  "source_refs": [
    {
      "list_name": "EF",
      "list_version": "3.1",
      "source_flow_uuid": "0a48bf15-666f-4ebb-8ffd-30b3b696871d",
      "source_flow_name": "(1α,2α,3aα,4β,7β,7aα)-1,2,4,5,6,7,8,8-octachloro-2,3,3a,4,7,7a-hexahydro-4,7-methano-1H-indene",
      "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": "cis-Chlordane",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "pubchem_readable_name",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:5103-71-9",
          "CID:12303035"
        ],
        "prov:wasDerivedFrom": "pubchem record title"
      }
    }
  ],
  "_sources": {
    "prefLabel": "pubchem_readable_name",
    "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-grou-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": [
        "C10H6Cl8"
      ],
      "rdfs:label": "Molecular formula",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.chebi_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "http://purl.obolibrary.org/obo/CHEBI_39068"
          ],
          "prov:wasDerivedFrom": "chebi.basic_property_values.generalized_empirical_formula"
        },
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:12303035"
          ],
          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
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