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Thymol

UUID 445c531c-6199-46b3-a317-28e42209c047
Flow Object IDfo-eef47293fb03707d
Source EF 3.1
Context Environmental → Water → Ocean
CAS Numbers 89-83-8
EC Numbers 201-944-8
prefLabel
Language Value Provenance
en Thymol
altLabel
Language Value Provenance
en 1-hydroxy-5-methyl-2-isopropylbenzene
en 2-isopropyl-5-methylphenol
en 3-p-cymenol
en 5-METHYL-2-(1-METHYLETHYL)PHENOL
en 5-methyl-2-(propan-2-yl)phenol
en 5-methyl-2-(propan-2-yl)phenyl sulfate
en 5-methyl-2-isopropylphenol
en 6-isopropyl-3-methylphenol
en 6-isopropyl-m-cresol
en thymol sulfate
en 1-Methyl-3-hydroxy-4-isopropylbenzene
en 2-Hydroxy-1-isopropyl-4-methylbenzene
en 3-Hydroxy-<em>p</em>-cymene
en 3-Methyl-6-isopropylphenol
en 5-Methyl-2-isopropyl-1-phenol
en 5-Methyl-2-propan-2-ylphenol
en 6-Isopropyl-<em>m</em>-cresol
en <em>m</em>-Thymol
en <em>p</em>-Cymen-3-ol
en Apiguard
en Marukarep RM
en MeSH ID: D013943
en NSC 11215
en NSC 47821
en NSC 49142
en Phenol, 5-methyl-2-(1-methylethyl)-
en T 0501
en Thyme camphor
en Thymol Chrystals
Definitions
Language Value Provenance
en A phenol that is a natural monoterpene derivative of cymene.
en A phenyl sulfate oxoanion that is the conjugate base of thymol sulfate, obtained by deprotonation of the sulfate group; major species at pH 7.3.
References
Shared Properties
Predicate Value
Formal charge -1, 0
InChIKey MGSRCZKZVOBKFT-UHFFFAOYSA-N, NODSEPOUFZPJEQ-UHFFFAOYSA-M
InChI InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h4-7,11H,1-3H3, InChI=1S/C10H14O4S/c1-7(2)9-5-4-8(3)6-10(9)14-15(11,12)13/h4-7H,1-3H3,(H,11,12,13)/p-1
IUPAC name (2-isopropyl-5-methyl-phenyl) sulfate, (5-methyl-2-propan-2-yl-phenyl) sulfate, (5-methyl-2-propan-2-ylphenyl) sulfate, 2-isopropyl-5-methyl-phenol, 5-methyl-2-propan-2-yl-phenol, 5-methyl-2-propan-2-ylphenol, thymol
Molecular formula C10H13O4S, C10H13O4S-, C10H14O
Molecular mass 150.221, 229.277
Monoisotopic mass 150.10447, 229.054
SMILES CC1=CC(=C(C=C1)C(C)C)O, CC1=CC(=C(C=C1)C(C)C)OS(=O)(=O)[O-], Cc1ccc(C(C)C)c(O)c1, Cc1ccc(C(C)C)c(OS(=O)(=O)[O-])c1

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 445c531c-6199-46b3-a317-28e42209c047 thymol

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 thymol Emissions/Emissions to water/Emissions to sea water 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=thymol||dimension=Environmental > media=Air > indoor=Unknown; cas=89-83-8; added Common Chemistry CAS names as altLabel: 1-Methyl-3-hydroxy-4-isopropylbenzene, 2-Hydroxy-1-isopropyl-4-methylbenzene, 3-Hydroxy-<em>p</em>-cymene, 3-Methyl-6-isopropylphenol, 5-Methyl-2-isopropyl-1-phenol, 5-Methyl-2-propan-2-ylphenol, 6-Isopropyl-<em>m</em>-cresol, <em>m</em>-Thymol, <em>p</em>-Cymen-3-ol, Apiguard, Marukarep RM, MeSH ID: D013943, NSC 11215, NSC 47821, NSC 49142, Phenol, 5-methyl-2-(1-methylethyl)-, T 0501, Thyme camphor, Thymol Chrystals; object_uuid=fo-eef47293fb03707d
cas_match_labels 1 consensus_match group_key=thymol||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'89-83-8': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-eef47293fb03707d: {'89-83-8': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaWater
water_bodyOcean

Consensus Changes

Field Old Value New Value Comment
altLabel [{'@value': '1-hydroxy-5-methyl-2-isopropylbenzene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:1-hydroxy-5-methyl-2-isopropylbenzene', 'http://purl.obolibrary.org/obo/CHEBI_27607', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '2-isopropyl-5-methylphenol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:2-isopropyl-5-methylphenol', 'http://purl.obolibrary.org/obo/CHEBI_27607', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '3-p-cymenol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:3-p-cymenol', 'http://purl.obolibrary.org/obo/CHEBI_27607', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '5-METHYL-2-(1-METHYLETHYL)PHENOL', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:5-METHYL-2-(1-METHYLETHYL)PHENOL', 'http://purl.obolibrary.org/obo/CHEBI_27607', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '5-methyl-2-(propan-2-yl)phenol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:5-methyl-2-(propan-2-yl)phenol', 'http://purl.obolibrary.org/obo/CHEBI_27607', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '5-methyl-2-(propan-2-yl)phenyl sulfate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:5-methyl-2-(propan-2-yl)phenyl sulfate', 'http://purl.obolibrary.org/obo/CHEBI_133663', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '5-methyl-2-isopropylphenol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:5-methyl-2-isopropylphenol', 'http://purl.obolibrary.org/obo/CHEBI_27607', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '6-isopropyl-3-methylphenol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:6-isopropyl-3-methylphenol', 'http://purl.obolibrary.org/obo/CHEBI_27607', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '6-isopropyl-m-cresol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:6-isopropyl-m-cresol', 'http://purl.obolibrary.org/obo/CHEBI_27607', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'thymol sulfate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:thymol sulfate', 'http://purl.obolibrary.org/obo/CHEBI_133663', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}] [{'@value': '1-hydroxy-5-methyl-2-isopropylbenzene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:1-hydroxy-5-methyl-2-isopropylbenzene', 'http://purl.obolibrary.org/obo/CHEBI_27607', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '2-isopropyl-5-methylphenol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:2-isopropyl-5-methylphenol', 'http://purl.obolibrary.org/obo/CHEBI_27607', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '3-p-cymenol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:3-p-cymenol', 'http://purl.obolibrary.org/obo/CHEBI_27607', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '5-METHYL-2-(1-METHYLETHYL)PHENOL', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:5-METHYL-2-(1-METHYLETHYL)PHENOL', 'http://purl.obolibrary.org/obo/CHEBI_27607', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '5-methyl-2-(propan-2-yl)phenol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:5-methyl-2-(propan-2-yl)phenol', 'http://purl.obolibrary.org/obo/CHEBI_27607', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '5-methyl-2-(propan-2-yl)phenyl sulfate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:5-methyl-2-(propan-2-yl)phenyl sulfate', 'http://purl.obolibrary.org/obo/CHEBI_133663', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '5-methyl-2-isopropylphenol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:5-methyl-2-isopropylphenol', 'http://purl.obolibrary.org/obo/CHEBI_27607', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '6-isopropyl-3-methylphenol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:6-isopropyl-3-methylphenol', 'http://purl.obolibrary.org/obo/CHEBI_27607', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '6-isopropyl-m-cresol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:6-isopropyl-m-cresol', 'http://purl.obolibrary.org/obo/CHEBI_27607', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'thymol sulfate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:thymol sulfate', 'http://purl.obolibrary.org/obo/CHEBI_133663', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '1-Methyl-3-hydroxy-4-isopropylbenzene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:89-83-8', 'https://commonchemistry.cas.org/detail?cas_rn=89-83-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '2-Hydroxy-1-isopropyl-4-methylbenzene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:89-83-8', 'https://commonchemistry.cas.org/detail?cas_rn=89-83-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '3-Hydroxy-<em>p</em>-cymene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:89-83-8', 'https://commonchemistry.cas.org/detail?cas_rn=89-83-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '3-Methyl-6-isopropylphenol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:89-83-8', 'https://commonchemistry.cas.org/detail?cas_rn=89-83-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '5-Methyl-2-isopropyl-1-phenol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:89-83-8', 'https://commonchemistry.cas.org/detail?cas_rn=89-83-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '5-Methyl-2-propan-2-ylphenol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:89-83-8', 'https://commonchemistry.cas.org/detail?cas_rn=89-83-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '6-Isopropyl-<em>m</em>-cresol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:89-83-8', 'https://commonchemistry.cas.org/detail?cas_rn=89-83-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>m</em>-Thymol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:89-83-8', 'https://commonchemistry.cas.org/detail?cas_rn=89-83-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>p</em>-Cymen-3-ol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:89-83-8', 'https://commonchemistry.cas.org/detail?cas_rn=89-83-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Apiguard', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:89-83-8', 'https://commonchemistry.cas.org/detail?cas_rn=89-83-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Marukarep RM', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:89-83-8', 'https://commonchemistry.cas.org/detail?cas_rn=89-83-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'MeSH ID: D013943', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:89-83-8', 'https://commonchemistry.cas.org/detail?cas_rn=89-83-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 11215', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:89-83-8', 'https://commonchemistry.cas.org/detail?cas_rn=89-83-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 47821', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:89-83-8', 'https://commonchemistry.cas.org/detail?cas_rn=89-83-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 49142', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:89-83-8', 'https://commonchemistry.cas.org/detail?cas_rn=89-83-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Phenol, 5-methyl-2-(1-methylethyl)-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:89-83-8', 'https://commonchemistry.cas.org/detail?cas_rn=89-83-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'T 0501', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:89-83-8', 'https://commonchemistry.cas.org/detail?cas_rn=89-83-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Thyme camphor', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:89-83-8', 'https://commonchemistry.cas.org/detail?cas_rn=89-83-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Thymol Chrystals', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:89-83-8', 'https://commonchemistry.cas.org/detail?cas_rn=89-83-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=thymol||dimension=Environmental > media=Air > indoor=Unknown; cas=89-83-8; added Common Chemistry CAS names as altLabel: 1-Methyl-3-hydroxy-4-isopropylbenzene, 2-Hydroxy-1-isopropyl-4-methylbenzene, 3-Hydroxy-<em>p</em>-cymene, 3-Methyl-6-isopropylphenol, 5-Methyl-2-isopropyl-1-phenol, 5-Methyl-2-propan-2-ylphenol, 6-Isopropyl-<em>m</em>-cresol, <em>m</em>-Thymol, <em>p</em>-Cymen-3-ol, Apiguard, Marukarep RM, MeSH ID: D013943, NSC 11215, NSC 47821, NSC 49142, Phenol, 5-methyl-2-(1-methylethyl)-, T 0501, Thyme camphor, Thymol Chrystals; object_uuid=fo-eef47293fb03707d
cas_match_labels None {'89-83-8': 'exactMatch'} group_key=thymol||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'89-83-8': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-eef47293fb03707d: {'89-83-8': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

{
  "uuid": "445c531c-6199-46b3-a317-28e42209c047",
  "name": null,
  "cas_numbers": [
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  "ec_numbers": [
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  "context": {
    "dimension": "Environmental",
    "media": "Water",
    "water_body": "Ocean"
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  "general_comment": null,
  "synonyms": [],
  "unit": "kg",
  "lcia_methods": [
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      "name": "Ecotoxicity, freshwater",
      "methodology": "Environmental Footprint",
      "impact_category": "Aquatic eco-toxicity",
      "impact_indicator": "Comparative Toxic Unit for ecosystems (CTUe) ",
      "characterization_factor": 0.01089
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      "impact_indicator": "Comparative Toxic Unit for ecosystems (CTUe) ",
      "characterization_factor": 0.01089
    }
  ],
  "source": "EF 3.1",
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  "input_datasets": [
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      "source_flow_uuid": "445c531c-6199-46b3-a317-28e42209c047",
      "source_flow_name": "thymol",
      "source_metadata": {
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        "input_dataset": "EF 3.1",
        "original_context": [
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  "properties": {
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      "rdfs:label": "Molecular formula",
      "provenance": [
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      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
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