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Hex-3-yne-2,5-diol

2D structure
Flow Object IDfo-5da1ded19a984f5a
TypeConsensus
prefLabel
Label Language
Hex-3-yne-2,5-diol en
Alt Labels
Label Language Provenance
3-Hexyne-2,5-diol en —
NSC 409184 en —
CAS Numbers 3031-66-1
EC Numbers 221-209-5
Changes Applied26

Provenance

Field Value
Resolverhybrid_name_cas_v1
Seed SourceEF 3.1
Seed Flow093ae4b4-03b5-4f23-b51c-7576f49577d7

Properties

Predicate Value
InChIKey KDOWHHULNTXTNS-UHFFFAOYSA-N, KDOWHHULNTXTNS-WDSKDSINSA-N
InChI InChI=1S/C6H10O2/c1-5(7)3-4-6(2)8/h5-8H,1-2H3, InChI=1S/C6H10O2/c1-5(7)3-4-6(2)8/h5-8H,1-2H3/t5-,6-/m0/s1
IUPAC name (2S,5S)-3-hexyne-2,5-diol, (2S,5S)-hex-3-yne-2,5-diol, 3-hexyne-2,5-diol, hex-3-yne-2,5-diol
Molecular formula C6H10O2
Molecular mass 114.144
Monoisotopic mass 114.06808
SMILES CC(C#CC(C)O)O, CC(O)C#CC(C)O, C[C@@H](C#C[C@H](C)O)O

References

Linked Elementary Flows

UUID Source Unit Context LCIA Factors Consensus Changes
406c1d65… EF 3.1 kg Environmental → Air → Aircraft cruise height 4 2
10053991… EF 3.1 kg Environmental → Air → Ground level → Rural (<1000 people/square mile) 0 2
967a9aa2… EF 3.1 kg Environmental → Air → Ground level → Urban (>1000 people/square mile) 4 2
093ae4b4… EF 3.1 kg Environmental → Air → High stack, >150 meters 4 2
7fef99c6… EF 3.1 kg Environmental → Air → Unknown 4 2
bcc6e69a… EF 3.1 kg Environmental → Air → Unknown 4 2
2140d6f9… EF 3.1 kg Environmental → Ground → Agricultural 4 2
3681a257… EF 3.1 kg Environmental → Ground → Unknown 4 2
753c91b4… EF 3.1 kg Environmental → Water → Ocean 4 2
319ca383… EF 3.1 kg Environmental → Water → Surface water 4 2
a59d4941… EF 3.1 kg Environmental → Water → Unknown 4 2
▶

Changes Applied
Elementary Flow Field Old Value New Value Comment
093ae4b4… altLabel — [{"@value":"3-Hexyne-2,5-diol","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:3031-66-1","https://commonchemistry.cas.org/detail?cas_rn=3031-66-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"NSC 409184","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:3031-66-1","https://commonchemistry.cas.org/detail?cas_rn=3031-66-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=hex-3-yne-2,5-diol||dimension=Environmental > media=Air > strata=High stack, >150 meters; cas=3031-66-1; added Common Chemistry CAS names as altLabel: 3-Hexyne-2,5-diol, NSC 409184; object_uuid=fo-5da1ded19a984f5a
093ae4b4… cas_match_labels — {"3031-66-1":"exactMatch"} group_key=hex-3-yne-2,5-diol||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['ec_inventory', 'pubchem']; cas_sources={'3031-66-1': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-5da1ded19a984f5a: {'3031-66-1': 'exactMatch'}
10053991… altLabel — [{"@value":"3-Hexyne-2,5-diol","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:3031-66-1","https://commonchemistry.cas.org/detail?cas_rn=3031-66-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"NSC 409184","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:3031-66-1","https://commonchemistry.cas.org/detail?cas_rn=3031-66-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=hex-3-yne-2,5-diol||dimension=Environmental > media=Air > strata=High stack, >150 meters; cas=3031-66-1; added Common Chemistry CAS names as altLabel: 3-Hexyne-2,5-diol, NSC 409184; object_uuid=fo-5da1ded19a984f5a
10053991… cas_match_labels — {"3031-66-1":"exactMatch"} group_key=hex-3-yne-2,5-diol||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['ec_inventory', 'pubchem']; cas_sources={'3031-66-1': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-5da1ded19a984f5a: {'3031-66-1': 'exactMatch'}
2140d6f9… altLabel — [{"@value":"3-Hexyne-2,5-diol","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:3031-66-1","https://commonchemistry.cas.org/detail?cas_rn=3031-66-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"NSC 409184","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:3031-66-1","https://commonchemistry.cas.org/detail?cas_rn=3031-66-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=hex-3-yne-2,5-diol||dimension=Environmental > media=Air > strata=High stack, >150 meters; cas=3031-66-1; added Common Chemistry CAS names as altLabel: 3-Hexyne-2,5-diol, NSC 409184; object_uuid=fo-5da1ded19a984f5a
2140d6f9… cas_match_labels — {"3031-66-1":"exactMatch"} group_key=hex-3-yne-2,5-diol||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['ec_inventory', 'pubchem']; cas_sources={'3031-66-1': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-5da1ded19a984f5a: {'3031-66-1': 'exactMatch'}
319ca383… altLabel — [{"@value":"3-Hexyne-2,5-diol","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:3031-66-1","https://commonchemistry.cas.org/detail?cas_rn=3031-66-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"NSC 409184","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:3031-66-1","https://commonchemistry.cas.org/detail?cas_rn=3031-66-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=hex-3-yne-2,5-diol||dimension=Environmental > media=Air > strata=High stack, >150 meters; cas=3031-66-1; added Common Chemistry CAS names as altLabel: 3-Hexyne-2,5-diol, NSC 409184; object_uuid=fo-5da1ded19a984f5a
319ca383… cas_match_labels — {"3031-66-1":"exactMatch"} group_key=hex-3-yne-2,5-diol||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['ec_inventory', 'pubchem']; cas_sources={'3031-66-1': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-5da1ded19a984f5a: {'3031-66-1': 'exactMatch'}
3681a257… altLabel — [{"@value":"3-Hexyne-2,5-diol","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:3031-66-1","https://commonchemistry.cas.org/detail?cas_rn=3031-66-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"NSC 409184","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:3031-66-1","https://commonchemistry.cas.org/detail?cas_rn=3031-66-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=hex-3-yne-2,5-diol||dimension=Environmental > media=Air > strata=High stack, >150 meters; cas=3031-66-1; added Common Chemistry CAS names as altLabel: 3-Hexyne-2,5-diol, NSC 409184; object_uuid=fo-5da1ded19a984f5a
3681a257… cas_match_labels — {"3031-66-1":"exactMatch"} group_key=hex-3-yne-2,5-diol||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['ec_inventory', 'pubchem']; cas_sources={'3031-66-1': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-5da1ded19a984f5a: {'3031-66-1': 'exactMatch'}
406c1d65… altLabel — [{"@value":"3-Hexyne-2,5-diol","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:3031-66-1","https://commonchemistry.cas.org/detail?cas_rn=3031-66-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"NSC 409184","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:3031-66-1","https://commonchemistry.cas.org/detail?cas_rn=3031-66-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=hex-3-yne-2,5-diol||dimension=Environmental > media=Air > strata=High stack, >150 meters; cas=3031-66-1; added Common Chemistry CAS names as altLabel: 3-Hexyne-2,5-diol, NSC 409184; object_uuid=fo-5da1ded19a984f5a
406c1d65… cas_match_labels — {"3031-66-1":"exactMatch"} group_key=hex-3-yne-2,5-diol||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['ec_inventory', 'pubchem']; cas_sources={'3031-66-1': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-5da1ded19a984f5a: {'3031-66-1': 'exactMatch'}
516eef16… altLabel — [{"@value":"3-Hexyne-2,5-diol","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:3031-66-1","https://commonchemistry.cas.org/detail?cas_rn=3031-66-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"NSC 409184","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:3031-66-1","https://commonchemistry.cas.org/detail?cas_rn=3031-66-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=hex-3-yne-2,5-diol||dimension=Environmental > media=Air > strata=High stack, >150 meters; cas=3031-66-1; added Common Chemistry CAS names as altLabel: 3-Hexyne-2,5-diol, NSC 409184; object_uuid=fo-5da1ded19a984f5a
516eef16… cas_match_labels — {"3031-66-1":"exactMatch"} group_key=hex-3-yne-2,5-diol||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['ec_inventory', 'pubchem']; cas_sources={'3031-66-1': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-5da1ded19a984f5a: {'3031-66-1': 'exactMatch'}
753c91b4… altLabel — [{"@value":"3-Hexyne-2,5-diol","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:3031-66-1","https://commonchemistry.cas.org/detail?cas_rn=3031-66-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"NSC 409184","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:3031-66-1","https://commonchemistry.cas.org/detail?cas_rn=3031-66-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=hex-3-yne-2,5-diol||dimension=Environmental > media=Air > strata=High stack, >150 meters; cas=3031-66-1; added Common Chemistry CAS names as altLabel: 3-Hexyne-2,5-diol, NSC 409184; object_uuid=fo-5da1ded19a984f5a
753c91b4… cas_match_labels — {"3031-66-1":"exactMatch"} group_key=hex-3-yne-2,5-diol||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['ec_inventory', 'pubchem']; cas_sources={'3031-66-1': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-5da1ded19a984f5a: {'3031-66-1': 'exactMatch'}
7fef99c6… altLabel — [{"@value":"3-Hexyne-2,5-diol","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:3031-66-1","https://commonchemistry.cas.org/detail?cas_rn=3031-66-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"NSC 409184","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:3031-66-1","https://commonchemistry.cas.org/detail?cas_rn=3031-66-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=hex-3-yne-2,5-diol||dimension=Environmental > media=Air > strata=High stack, >150 meters; cas=3031-66-1; added Common Chemistry CAS names as altLabel: 3-Hexyne-2,5-diol, NSC 409184; object_uuid=fo-5da1ded19a984f5a
7fef99c6… cas_match_labels — {"3031-66-1":"exactMatch"} group_key=hex-3-yne-2,5-diol||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['ec_inventory', 'pubchem']; cas_sources={'3031-66-1': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-5da1ded19a984f5a: {'3031-66-1': 'exactMatch'}
967a9aa2… altLabel — [{"@value":"3-Hexyne-2,5-diol","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:3031-66-1","https://commonchemistry.cas.org/detail?cas_rn=3031-66-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"NSC 409184","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:3031-66-1","https://commonchemistry.cas.org/detail?cas_rn=3031-66-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=hex-3-yne-2,5-diol||dimension=Environmental > media=Air > strata=High stack, >150 meters; cas=3031-66-1; added Common Chemistry CAS names as altLabel: 3-Hexyne-2,5-diol, NSC 409184; object_uuid=fo-5da1ded19a984f5a
967a9aa2… cas_match_labels — {"3031-66-1":"exactMatch"} group_key=hex-3-yne-2,5-diol||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['ec_inventory', 'pubchem']; cas_sources={'3031-66-1': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-5da1ded19a984f5a: {'3031-66-1': 'exactMatch'}
a59d4941… altLabel — [{"@value":"3-Hexyne-2,5-diol","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:3031-66-1","https://commonchemistry.cas.org/detail?cas_rn=3031-66-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"NSC 409184","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:3031-66-1","https://commonchemistry.cas.org/detail?cas_rn=3031-66-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=hex-3-yne-2,5-diol||dimension=Environmental > media=Air > strata=High stack, >150 meters; cas=3031-66-1; added Common Chemistry CAS names as altLabel: 3-Hexyne-2,5-diol, NSC 409184; object_uuid=fo-5da1ded19a984f5a
a59d4941… cas_match_labels — {"3031-66-1":"exactMatch"} group_key=hex-3-yne-2,5-diol||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['ec_inventory', 'pubchem']; cas_sources={'3031-66-1': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-5da1ded19a984f5a: {'3031-66-1': 'exactMatch'}
bcc6e69a… altLabel — [{"@value":"3-Hexyne-2,5-diol","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:3031-66-1","https://commonchemistry.cas.org/detail?cas_rn=3031-66-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"NSC 409184","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:3031-66-1","https://commonchemistry.cas.org/detail?cas_rn=3031-66-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=hex-3-yne-2,5-diol||dimension=Environmental > media=Air > strata=High stack, >150 meters; cas=3031-66-1; added Common Chemistry CAS names as altLabel: 3-Hexyne-2,5-diol, NSC 409184; object_uuid=fo-5da1ded19a984f5a
bcc6e69a… cas_match_labels — {"3031-66-1":"exactMatch"} group_key=hex-3-yne-2,5-diol||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['ec_inventory', 'pubchem']; cas_sources={'3031-66-1': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-5da1ded19a984f5a: {'3031-66-1': 'exactMatch'}
f0f158b6… altLabel — [{"@value":"3-Hexyne-2,5-diol","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:3031-66-1","https://commonchemistry.cas.org/detail?cas_rn=3031-66-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"NSC 409184","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:3031-66-1","https://commonchemistry.cas.org/detail?cas_rn=3031-66-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=hex-3-yne-2,5-diol||dimension=Environmental > media=Air > strata=High stack, >150 meters; cas=3031-66-1; added Common Chemistry CAS names as altLabel: 3-Hexyne-2,5-diol, NSC 409184; object_uuid=fo-5da1ded19a984f5a
f0f158b6… cas_match_labels — {"3031-66-1":"exactMatch"} group_key=hex-3-yne-2,5-diol||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['ec_inventory', 'pubchem']; cas_sources={'3031-66-1': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-5da1ded19a984f5a: {'3031-66-1': 'exactMatch'}

Flow Object JSON

{
  "flow_object_id": "fo-5da1ded19a984f5a",
  "prefLabel": [
    {
      "@value": "Hex-3-yne-2,5-diol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "prefLabel"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "3-Hexyne-2,5-diol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "altLabel"
      }
    },
    {
      "@value": "NSC 409184",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "altLabel"
      }
    }
  ],
  "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.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:18198",
            "CID:638103"
          ],
          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC(C#CC(C)O)O"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "KDOWHHULNTXTNS-UHFFFAOYSA-N",
        "KDOWHHULNTXTNS-WDSKDSINSA-N"
      ],
      "rdfs:label": "InChIKey",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
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          "prov:wasDerivedFrom": "pubchem.props.InChIKey"
        },
        {
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          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC(C#CC(C)O)O"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
        "CC(C#CC(C)O)O",
        "CC(O)C#CC(C)O",
        "C[C@@H](C#C[C@H](C)O)O"
      ],
      "rdfs:label": "SMILES",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
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          "prov:wasDerivedFrom": "pubchem.props.SMILES"
        },
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
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        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
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          "prov:hadPrimarySource": [
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          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "@value": [
        "InChI=1S/C6H10O2/c1-5(7)3-4-6(2)8/h5-8H,1-2H3",
        "InChI=1S/C6H10O2/c1-5(7)3-4-6(2)8/h5-8H,1-2H3/t5-,6-/m0/s1"
      ],
      "rdfs:label": "InChI",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
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          ],
          "prov:wasDerivedFrom": "pubchem.props.InChI"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC(C#CC(C)O)O"
          ]
        }
      ]
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