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caffeic acid, (Z)-

UUID fe0acd60-3ddc-11dd-ae46-0050c2490048
Flow Object IDfo-d26e564bbd9a372d
Source EF 3.1
Context Environmental → Air → Unknown
CAS Numbers 331-39-5
EC Numbers 206-361-2
prefLabel
Language Value Provenance
en caffeic acid, (Z)-
altLabel ⓘ
Language Value Provenance
en (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid
en (2Z)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid
en 3,4-Dihydroxy-trans-cinnamate
en 3,4-Dihydroxycinnamic acid
en Caffeate
en cis-Caffeic acid
en trans-Caffeate
en 2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-
en 3,4-Dihydroxybenzeneacrylic acid
en 3,4-Dihydroxycinammic acid
en 3-(3,4-Dihydroxyphenyl)-2-propenoic acid
en 3-(3,4-Dihydroxyphenyl)propenoic acid
en 4-(2-Carboxyethenyl)-1,2-dihydroxybenzene
en 4-(2′-Carboxyvinyl)-1,2-dihydroxybenzene
en Cinnamic acid, 3,4-dihydroxy-
en DHCA
en NSC 57197
en NSC 623438
en Caffeic Acid
Definitions
Language Value Provenance
en The cis-isomer of caffeic acid.
en The trans-isomer of caffeic acid.
References
Shared Properties
Predicate Value
Formal charge 0
InChIKey QAIPRVGONGVQAS-DUXPYHPUSA-N, QAIPRVGONGVQAS-RQOWECAXSA-N
InChI InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+, InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2-
IUPAC name (Z)-3-(3,4-dihydroxyphenyl)-2-propenoic acid, (Z)-3-(3,4-dihydroxyphenyl)acrylic acid, (Z)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid, (Z)-3-[3,4-bis(oxidanyl)phenyl]prop-2-enoic acid
Molecular formula C9H8O4
Molecular mass 180.159
Monoisotopic mass 180.04226
SMILES C1=CC(=C(C=C1/C=C\C(=O)O)O)O, C1=CC(=C(C=C1C=CC(=O)O)O)O, O=C(O)/C=C/c1ccc(O)c(O)c1, O=C(O)/C=Cc1ccc(O)c(O)c1

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 fe0acd60-3ddc-11dd-ae46-0050c2490048 caffeic acid

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 caffeic acid Emissions/Emissions to air/Emissions to air, 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=caffeicacid||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=331-39-5; added Common Chemistry CAS names as altLabel: 2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, 3,4-Dihydroxybenzeneacrylic acid, 3,4-Dihydroxycinammic acid, 3-(3,4-Dihydroxyphenyl)-2-propenoic acid, 3-(3,4-Dihydroxyphenyl)propenoic acid, 4-(2-Carboxyethenyl)-1,2-dihydroxybenzene, 4-(2′-Carboxyvinyl)-1,2-dihydroxybenzene, Cinnamic acid, 3,4-dihydroxy-, DHCA, NSC 57197, NSC 623438; object_uuid=fo-d26e564bbd9a372d
cas_match_labels 1 — consensus_match group_key=caffeicacid||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'331-39-5': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-d26e564bbd9a372d: {'331-39-5': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaAir
strataUnknown

Consensus Changes

Field Old Value New Value Comment
altLabel [{'@value': '(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid', 'http://purl.obolibrary.org/obo/CHEBI_16433', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '(2Z)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:(2Z)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid', 'http://purl.obolibrary.org/obo/CHEBI_17395', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '3,4-Dihydroxy-trans-cinnamate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:3,4-Dihydroxy-trans-cinnamate', 'http://purl.obolibrary.org/obo/CHEBI_16433', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '3,4-Dihydroxycinnamic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:3,4-Dihydroxycinnamic acid', 'http://purl.obolibrary.org/obo/CHEBI_16433', 'http://purl.obolibrary.org/obo/CHEBI_17395', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Caffeate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Caffeate', 'http://purl.obolibrary.org/obo/CHEBI_17395', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'cis-Caffeic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:cis-Caffeic acid', 'http://purl.obolibrary.org/obo/CHEBI_17395', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'trans-Caffeate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:trans-Caffeate', 'http://purl.obolibrary.org/obo/CHEBI_16433', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}] [{'@value': '(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid', 'http://purl.obolibrary.org/obo/CHEBI_16433', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '(2Z)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:(2Z)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid', 'http://purl.obolibrary.org/obo/CHEBI_17395', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '3,4-Dihydroxy-trans-cinnamate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:3,4-Dihydroxy-trans-cinnamate', 'http://purl.obolibrary.org/obo/CHEBI_16433', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '3,4-Dihydroxycinnamic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:3,4-Dihydroxycinnamic acid', 'http://purl.obolibrary.org/obo/CHEBI_16433', 'http://purl.obolibrary.org/obo/CHEBI_17395', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Caffeate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Caffeate', 'http://purl.obolibrary.org/obo/CHEBI_17395', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'cis-Caffeic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:cis-Caffeic acid', 'http://purl.obolibrary.org/obo/CHEBI_17395', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'trans-Caffeate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:trans-Caffeate', 'http://purl.obolibrary.org/obo/CHEBI_16433', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:331-39-5', 'https://commonchemistry.cas.org/detail?cas_rn=331-39-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '3,4-Dihydroxybenzeneacrylic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:331-39-5', 'https://commonchemistry.cas.org/detail?cas_rn=331-39-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '3,4-Dihydroxycinammic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:331-39-5', 'https://commonchemistry.cas.org/detail?cas_rn=331-39-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '3-(3,4-Dihydroxyphenyl)-2-propenoic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:331-39-5', 'https://commonchemistry.cas.org/detail?cas_rn=331-39-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '3-(3,4-Dihydroxyphenyl)propenoic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:331-39-5', 'https://commonchemistry.cas.org/detail?cas_rn=331-39-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '4-(2-Carboxyethenyl)-1,2-dihydroxybenzene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:331-39-5', 'https://commonchemistry.cas.org/detail?cas_rn=331-39-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '4-(2′-Carboxyvinyl)-1,2-dihydroxybenzene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:331-39-5', 'https://commonchemistry.cas.org/detail?cas_rn=331-39-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Cinnamic acid, 3,4-dihydroxy-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:331-39-5', 'https://commonchemistry.cas.org/detail?cas_rn=331-39-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'DHCA', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:331-39-5', 'https://commonchemistry.cas.org/detail?cas_rn=331-39-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 57197', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:331-39-5', 'https://commonchemistry.cas.org/detail?cas_rn=331-39-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 623438', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:331-39-5', 'https://commonchemistry.cas.org/detail?cas_rn=331-39-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=caffeicacid||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=331-39-5; added Common Chemistry CAS names as altLabel: 2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, 3,4-Dihydroxybenzeneacrylic acid, 3,4-Dihydroxycinammic acid, 3-(3,4-Dihydroxyphenyl)-2-propenoic acid, 3-(3,4-Dihydroxyphenyl)propenoic acid, 4-(2-Carboxyethenyl)-1,2-dihydroxybenzene, 4-(2′-Carboxyvinyl)-1,2-dihydroxybenzene, Cinnamic acid, 3,4-dihydroxy-, DHCA, NSC 57197, NSC 623438; object_uuid=fo-d26e564bbd9a372d
cas_match_labels None {'331-39-5': 'exactMatch'} group_key=caffeicacid||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'331-39-5': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-d26e564bbd9a372d: {'331-39-5': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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  "name": null,
  "cas_numbers": [
    "331-39-5"
  ],
  "ec_numbers": [
    "206-361-2"
  ],
  "context": {
    "dimension": "Environmental",
    "media": "Air",
    "strata": "Unknown"
  },
  "general_comment": null,
  "synonyms": [],
  "unit": "kg",
  "lcia_methods": [
    {
      "method_uuid": "2299222a-bbd8-474f-9d4f-4dd1f18aea7c",
      "name": "Human toxicity, cancer",
      "methodology": "Environmental Footprint",
      "impact_category": "Cancer human health effects",
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      "characterization_factor": 1.9778e-7
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    {
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      "characterization_factor": 1.9778e-7
    }
  ],
  "source": "EF 3.1",
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        "original_context": [
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          "Emissions to air, unspecified"
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