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6-Octen-3-one, 2,4,4,7-tetramethyl-

Flow Object IDfo-2a4c72cc1d11b89f
TypeConsensus
prefLabel
Label Language
6-Octen-3-one, 2,4,4,7-tetramethyl- en
Alt Labels
Label Language Provenance
2,4,4,7-tetramethyl-6-octen-3-one en —
Claritone en —
CAS Numbers74338-72-0
EC Numbers422-520-0
Changes Applied26

Properties

Predicate Value
InChIKey CTLDWNVYXLHMAS-UHFFFAOYSA-N
InChI InChI=1S/C12H22O/c1-9(2)7-8-12(5,6)11(13)10(3)4/h7,10H,8H2,1-6H3
IUPAC name 2,4,4,7-tetramethyl-6-octen-3-one, 2,4,4,7-tetramethyloct-6-en-3-one
Molecular formula C12H22O
SMILES CC(C)C(=O)C(C)(C)CC=C(C)C

References

Linked Elementary Flows

UUID Source Unit Context LCIA Factors Consensus Changes
f25176d5… EF 3.1 kg Environmental → Air → Aircraft cruise height 4 2
2f59abc4… EF 3.1 kg Environmental → Air → Ground level → Rural (<1000 people/square mile) 0 2
bfd34cfa… EF 3.1 kg Environmental → Air → Ground level → Urban (>1000 people/square mile) 4 2
b064bdef… EF 3.1 kg Environmental → Air → High stack, >150 meters 4 2
b010caf4… EF 3.1 kg Environmental → Air → Unknown 4 2
c82d223b… EF 3.1 kg Environmental → Air → Unknown 4 2
62a99ade… EF 3.1 kg Environmental → Ground → Agricultural 4 2
3dac572e… EF 3.1 kg Environmental → Ground → Unknown 4 2
8321d880… EF 3.1 kg Environmental → Water → Ocean 4 2
79a8accd… EF 3.1 kg Environmental → Water → Surface water 4 2
63250610… EF 3.1 kg Environmental → Water → Unknown 4 2
▶

Changes Applied
Elementary Flow Field Old Value New Value Comment
2f59abc4… altLabel — [{"@value":"6-Octen-3-one, 2,4,4,7-tetramethyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:74338-72-0","https://commonchemistry.cas.org/detail?cas_rn=74338-72-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Claritone","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:74338-72-0","https://commonchemistry.cas.org/detail?cas_rn=74338-72-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=2,4,4,7-tetramethyl-6-octen-3-one||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); cas=74338-72-0; added Common Chemistry CAS names as altLabel: 6-Octen-3-one, 2,4,4,7-tetramethyl-, Claritone; object_uuid=fo-2a4c72cc1d11b89f
2f59abc4… cas_match_labels — {"74338-72-0":"exactMatch"} group_key=2,4,4,7-tetramethyl-6-octen-3-one||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['pubchem']; cas_sources={'74338-72-0': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-2a4c72cc1d11b89f: {'74338-72-0': 'exactMatch'}
3dac572e… altLabel — [{"@value":"6-Octen-3-one, 2,4,4,7-tetramethyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:74338-72-0","https://commonchemistry.cas.org/detail?cas_rn=74338-72-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Claritone","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:74338-72-0","https://commonchemistry.cas.org/detail?cas_rn=74338-72-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=2,4,4,7-tetramethyl-6-octen-3-one||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); cas=74338-72-0; added Common Chemistry CAS names as altLabel: 6-Octen-3-one, 2,4,4,7-tetramethyl-, Claritone; object_uuid=fo-2a4c72cc1d11b89f
3dac572e… cas_match_labels — {"74338-72-0":"exactMatch"} group_key=2,4,4,7-tetramethyl-6-octen-3-one||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['pubchem']; cas_sources={'74338-72-0': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-2a4c72cc1d11b89f: {'74338-72-0': 'exactMatch'}
62a99ade… altLabel — [{"@value":"6-Octen-3-one, 2,4,4,7-tetramethyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:74338-72-0","https://commonchemistry.cas.org/detail?cas_rn=74338-72-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Claritone","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:74338-72-0","https://commonchemistry.cas.org/detail?cas_rn=74338-72-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=2,4,4,7-tetramethyl-6-octen-3-one||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); cas=74338-72-0; added Common Chemistry CAS names as altLabel: 6-Octen-3-one, 2,4,4,7-tetramethyl-, Claritone; object_uuid=fo-2a4c72cc1d11b89f
62a99ade… cas_match_labels — {"74338-72-0":"exactMatch"} group_key=2,4,4,7-tetramethyl-6-octen-3-one||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['pubchem']; cas_sources={'74338-72-0': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-2a4c72cc1d11b89f: {'74338-72-0': 'exactMatch'}
63250610… altLabel — [{"@value":"6-Octen-3-one, 2,4,4,7-tetramethyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:74338-72-0","https://commonchemistry.cas.org/detail?cas_rn=74338-72-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Claritone","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:74338-72-0","https://commonchemistry.cas.org/detail?cas_rn=74338-72-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=2,4,4,7-tetramethyl-6-octen-3-one||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); cas=74338-72-0; added Common Chemistry CAS names as altLabel: 6-Octen-3-one, 2,4,4,7-tetramethyl-, Claritone; object_uuid=fo-2a4c72cc1d11b89f
63250610… cas_match_labels — {"74338-72-0":"exactMatch"} group_key=2,4,4,7-tetramethyl-6-octen-3-one||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['pubchem']; cas_sources={'74338-72-0': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-2a4c72cc1d11b89f: {'74338-72-0': 'exactMatch'}
63ba1185… altLabel — [{"@value":"6-Octen-3-one, 2,4,4,7-tetramethyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:74338-72-0","https://commonchemistry.cas.org/detail?cas_rn=74338-72-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Claritone","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:74338-72-0","https://commonchemistry.cas.org/detail?cas_rn=74338-72-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=2,4,4,7-tetramethyl-6-octen-3-one||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); cas=74338-72-0; added Common Chemistry CAS names as altLabel: 6-Octen-3-one, 2,4,4,7-tetramethyl-, Claritone; object_uuid=fo-2a4c72cc1d11b89f
63ba1185… cas_match_labels — {"74338-72-0":"exactMatch"} group_key=2,4,4,7-tetramethyl-6-octen-3-one||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['pubchem']; cas_sources={'74338-72-0': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-2a4c72cc1d11b89f: {'74338-72-0': 'exactMatch'}
79a8accd… altLabel — [{"@value":"6-Octen-3-one, 2,4,4,7-tetramethyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:74338-72-0","https://commonchemistry.cas.org/detail?cas_rn=74338-72-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Claritone","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:74338-72-0","https://commonchemistry.cas.org/detail?cas_rn=74338-72-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=2,4,4,7-tetramethyl-6-octen-3-one||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); cas=74338-72-0; added Common Chemistry CAS names as altLabel: 6-Octen-3-one, 2,4,4,7-tetramethyl-, Claritone; object_uuid=fo-2a4c72cc1d11b89f
79a8accd… cas_match_labels — {"74338-72-0":"exactMatch"} group_key=2,4,4,7-tetramethyl-6-octen-3-one||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['pubchem']; cas_sources={'74338-72-0': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-2a4c72cc1d11b89f: {'74338-72-0': 'exactMatch'}
8321d880… altLabel — [{"@value":"6-Octen-3-one, 2,4,4,7-tetramethyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:74338-72-0","https://commonchemistry.cas.org/detail?cas_rn=74338-72-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Claritone","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:74338-72-0","https://commonchemistry.cas.org/detail?cas_rn=74338-72-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=2,4,4,7-tetramethyl-6-octen-3-one||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); cas=74338-72-0; added Common Chemistry CAS names as altLabel: 6-Octen-3-one, 2,4,4,7-tetramethyl-, Claritone; object_uuid=fo-2a4c72cc1d11b89f
8321d880… cas_match_labels — {"74338-72-0":"exactMatch"} group_key=2,4,4,7-tetramethyl-6-octen-3-one||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['pubchem']; cas_sources={'74338-72-0': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-2a4c72cc1d11b89f: {'74338-72-0': 'exactMatch'}
8c7d67a6… altLabel — [{"@value":"6-Octen-3-one, 2,4,4,7-tetramethyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:74338-72-0","https://commonchemistry.cas.org/detail?cas_rn=74338-72-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Claritone","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:74338-72-0","https://commonchemistry.cas.org/detail?cas_rn=74338-72-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=2,4,4,7-tetramethyl-6-octen-3-one||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); cas=74338-72-0; added Common Chemistry CAS names as altLabel: 6-Octen-3-one, 2,4,4,7-tetramethyl-, Claritone; object_uuid=fo-2a4c72cc1d11b89f
8c7d67a6… cas_match_labels — {"74338-72-0":"exactMatch"} group_key=2,4,4,7-tetramethyl-6-octen-3-one||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['pubchem']; cas_sources={'74338-72-0': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-2a4c72cc1d11b89f: {'74338-72-0': 'exactMatch'}
b010caf4… altLabel — [{"@value":"6-Octen-3-one, 2,4,4,7-tetramethyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:74338-72-0","https://commonchemistry.cas.org/detail?cas_rn=74338-72-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Claritone","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:74338-72-0","https://commonchemistry.cas.org/detail?cas_rn=74338-72-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=2,4,4,7-tetramethyl-6-octen-3-one||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); cas=74338-72-0; added Common Chemistry CAS names as altLabel: 6-Octen-3-one, 2,4,4,7-tetramethyl-, Claritone; object_uuid=fo-2a4c72cc1d11b89f
b010caf4… cas_match_labels — {"74338-72-0":"exactMatch"} group_key=2,4,4,7-tetramethyl-6-octen-3-one||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['pubchem']; cas_sources={'74338-72-0': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-2a4c72cc1d11b89f: {'74338-72-0': 'exactMatch'}
b064bdef… altLabel — [{"@value":"6-Octen-3-one, 2,4,4,7-tetramethyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:74338-72-0","https://commonchemistry.cas.org/detail?cas_rn=74338-72-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Claritone","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:74338-72-0","https://commonchemistry.cas.org/detail?cas_rn=74338-72-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=2,4,4,7-tetramethyl-6-octen-3-one||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); cas=74338-72-0; added Common Chemistry CAS names as altLabel: 6-Octen-3-one, 2,4,4,7-tetramethyl-, Claritone; object_uuid=fo-2a4c72cc1d11b89f
b064bdef… cas_match_labels — {"74338-72-0":"exactMatch"} group_key=2,4,4,7-tetramethyl-6-octen-3-one||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['pubchem']; cas_sources={'74338-72-0': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-2a4c72cc1d11b89f: {'74338-72-0': 'exactMatch'}
bfd34cfa… altLabel — [{"@value":"6-Octen-3-one, 2,4,4,7-tetramethyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:74338-72-0","https://commonchemistry.cas.org/detail?cas_rn=74338-72-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Claritone","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:74338-72-0","https://commonchemistry.cas.org/detail?cas_rn=74338-72-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=2,4,4,7-tetramethyl-6-octen-3-one||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); cas=74338-72-0; added Common Chemistry CAS names as altLabel: 6-Octen-3-one, 2,4,4,7-tetramethyl-, Claritone; object_uuid=fo-2a4c72cc1d11b89f
bfd34cfa… cas_match_labels — {"74338-72-0":"exactMatch"} group_key=2,4,4,7-tetramethyl-6-octen-3-one||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['pubchem']; cas_sources={'74338-72-0': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-2a4c72cc1d11b89f: {'74338-72-0': 'exactMatch'}
c82d223b… altLabel — [{"@value":"6-Octen-3-one, 2,4,4,7-tetramethyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:74338-72-0","https://commonchemistry.cas.org/detail?cas_rn=74338-72-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Claritone","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:74338-72-0","https://commonchemistry.cas.org/detail?cas_rn=74338-72-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=2,4,4,7-tetramethyl-6-octen-3-one||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); cas=74338-72-0; added Common Chemistry CAS names as altLabel: 6-Octen-3-one, 2,4,4,7-tetramethyl-, Claritone; object_uuid=fo-2a4c72cc1d11b89f
c82d223b… cas_match_labels — {"74338-72-0":"exactMatch"} group_key=2,4,4,7-tetramethyl-6-octen-3-one||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['pubchem']; cas_sources={'74338-72-0': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-2a4c72cc1d11b89f: {'74338-72-0': 'exactMatch'}
f25176d5… altLabel — [{"@value":"6-Octen-3-one, 2,4,4,7-tetramethyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:74338-72-0","https://commonchemistry.cas.org/detail?cas_rn=74338-72-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Claritone","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:74338-72-0","https://commonchemistry.cas.org/detail?cas_rn=74338-72-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=2,4,4,7-tetramethyl-6-octen-3-one||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); cas=74338-72-0; added Common Chemistry CAS names as altLabel: 6-Octen-3-one, 2,4,4,7-tetramethyl-, Claritone; object_uuid=fo-2a4c72cc1d11b89f
f25176d5… cas_match_labels — {"74338-72-0":"exactMatch"} group_key=2,4,4,7-tetramethyl-6-octen-3-one||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['pubchem']; cas_sources={'74338-72-0': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-2a4c72cc1d11b89f: {'74338-72-0': 'exactMatch'}

Flow Object JSON

{
  "flow_object_id": "fo-2a4c72cc1d11b89f",
  "prefLabel": [
    {
      "@value": "6-Octen-3-one, 2,4,4,7-tetramethyl-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "prefLabel"
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    }
  ],
  "altLabel": [
    {
      "@value": "2,4,4,7-tetramethyl-6-octen-3-one",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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        "prov:wasDerivedFrom": "altLabel"
      }
    },
    {
      "@value": "Claritone",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:hadPrimarySource": [
          "EF 3.1"
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        "prov:wasDerivedFrom": "altLabel"
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  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C12H22O"
      ],
      "rdfs:label": "Molecular formula",
      "provenance": {
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        "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
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    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "CTLDWNVYXLHMAS-UHFFFAOYSA-N"
      ],
      "rdfs:label": "InChIKey",
      "provenance": {
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        "prov:wasDerivedFrom": "pubchem.props.InChIKey"
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    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
        "CC(C)C(=O)C(C)(C)CC=C(C)C"
      ],
      "rdfs:label": "SMILES",
      "provenance": {
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        "prov:wasDerivedFrom": "pubchem.props.SMILES"
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    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "@value": [
        "InChI=1S/C12H22O/c1-9(2)7-8-12(5,6)11(13)10(3)4/h7,10H,8H2,1-6H3"
      ],
      "rdfs:label": "InChI",
      "provenance": {
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        "prov:wasDerivedFrom": "pubchem.props.InChI"
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    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "@value": [
        "2,4,4,7-tetramethyl-6-octen-3-one",
        "2,4,4,7-tetramethyloct-6-en-3-one"
      ],
      "rdfs:label": "IUPAC name",
      "provenance": {
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