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Abietic Acid

UUID 45e129c4-a0a4-45ed-92d3-7e530db7633e
Flow Object IDfo-4d4c533cd12ad598
Source EF 3.1
Context Environmental → Water → Surface water
CAS Numbers 514-10-3
EC Numbers 208-178-3
prefLabel
Language Value Provenance
en Abietic Acid
altLabel ⓘ
Language Value Provenance
en (1R,4aR,10aR)-1,4a-dimethyl-7-(propan-2-yl)-1,2,3,4,4a,5,6,10,10a-decahydrophenanthrene-1-carboxylic acid
en 13-isopropylpodocarpa-7,13-dien-15-oic acid
en 7,13-abietadien-18-oic acid
en abieta-7,13-dien-18-oic acid
en sylvic acid
en (-)-Abietic acid
en (1<em>R</em>,4a<em>R</em>,4b<em>R</em>,10a<em>R</em>)-1,2,3,4,4a,4b,5,6,10,10a-Decahydro-1,4a-dimethyl-7-(1-methylethyl)-1-phenanthrenecarboxylic acid
en 1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, (1<em>R</em>,4a<em>R</em>,4b<em>R</em>,10a<em>R</em>)-
en 1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, [1<em>R</em>-(1α,4aβ,4bα,10aα)]-
en <em>l</em>-Abietic acid
en Abieta-7,13-diene-18-oic acid
en Abietic acid, (-)-
en NSC 25149
en Odomit B 10
en Podocarpa-7,13-dien-15-oic acid, 13-isopropyl-
en ZAO
en ZAO (natural product)
Definitions
Language Value Provenance
en An abietane diterpenoid that is abieta-7,13-diene substituted by a carboxy group at position 18.
References
Shared Properties
Predicate Value
Formal charge 0
InChIKey RSWGJHLUYNHPMX-ONCXSQPRSA-N
InChI InChI=1S/C20H30O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h7,12-13,16-17H,5-6,8-11H2,1-4H3,(H,21,22)/t16-,17+,19+,20+/m0/s1
IUPAC name (1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylic acid, (1R,4aR,4bR,10aR)-7-isopropyl-1,4a-dimethyl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylic acid
Molecular formula C20H30O2
Molecular mass 302.458
Monoisotopic mass 302.22458
SMILES CC(C)C1=CC2=CCC3C(C2CC1)(CCCC3(C)C(=O)O)C, CC(C)C1=CC2=CC[C@@H]3[C@@]([C@H]2CC1)(CCC[C@@]3(C)C(=O)O)C, [H][C@@]12CC=C3C=C(C(C)C)CC[C@]3([H])[C@@]1(C)CCC[C@@]2(C)C(=O)O

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 45e129c4-a0a4-45ed-92d3-7e530db7633e abietic acid

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 abietic acid Emissions/Emissions to water/Emissions to fresh 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=abieticacid||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=514-10-3; added Common Chemistry CAS names as altLabel: (-)-Abietic acid, (1<em>R</em>,4a<em>R</em>,4b<em>R</em>,10a<em>R</em>)-1,2,3,4,4a,4b,5,6,10,10a-Decahydro-1,4a-dimethyl-7-(1-methylethyl)-1-phenanthrenecarboxylic acid, 1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, (1<em>R</em>,4a<em>R</em>,4b<em>R</em>,10a<em>R</em>)-, 1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, [1<em>R</em>-(1α,4aβ,4bα,10aα)]-, <em>l</em>-Abietic acid, Abieta-7,13-diene-18-oic acid, Abietic acid, (-)-, NSC 25149, Odomit B 10, Podocarpa-7,13-dien-15-oic acid, 13-isopropyl-, ZAO, ZAO (natural product); object_uuid=fo-4d4c533cd12ad598
cas_match_labels 1 — consensus_match group_key=abieticacid||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'514-10-3': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-4d4c533cd12ad598: {'514-10-3': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaWater
water_bodySurface water

Consensus Changes

Field Old Value New Value Comment
altLabel [{'@value': '(1R,4aR,10aR)-1,4a-dimethyl-7-(propan-2-yl)-1,2,3,4,4a,5,6,10,10a-decahydrophenanthrene-1-carboxylic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:(1R,4aR,10aR)-1,4a-dimethyl-7-(propan-2-yl)-1,2,3,4,4a,5,6,10,10a-decahydrophenanthrene-1-carboxylic acid', 'http://purl.obolibrary.org/obo/CHEBI_28987', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '13-isopropylpodocarpa-7,13-dien-15-oic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:13-isopropylpodocarpa-7,13-dien-15-oic acid', 'http://purl.obolibrary.org/obo/CHEBI_28987', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '7,13-abietadien-18-oic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:7,13-abietadien-18-oic acid', 'http://purl.obolibrary.org/obo/CHEBI_28987', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'abieta-7,13-dien-18-oic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:abieta-7,13-dien-18-oic acid', 'http://purl.obolibrary.org/obo/CHEBI_28987', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'sylvic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:sylvic acid', 'http://purl.obolibrary.org/obo/CHEBI_28987', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}] [{'@value': '(1R,4aR,10aR)-1,4a-dimethyl-7-(propan-2-yl)-1,2,3,4,4a,5,6,10,10a-decahydrophenanthrene-1-carboxylic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:(1R,4aR,10aR)-1,4a-dimethyl-7-(propan-2-yl)-1,2,3,4,4a,5,6,10,10a-decahydrophenanthrene-1-carboxylic acid', 'http://purl.obolibrary.org/obo/CHEBI_28987', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '13-isopropylpodocarpa-7,13-dien-15-oic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:13-isopropylpodocarpa-7,13-dien-15-oic acid', 'http://purl.obolibrary.org/obo/CHEBI_28987', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '7,13-abietadien-18-oic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:7,13-abietadien-18-oic acid', 'http://purl.obolibrary.org/obo/CHEBI_28987', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'abieta-7,13-dien-18-oic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:abieta-7,13-dien-18-oic acid', 'http://purl.obolibrary.org/obo/CHEBI_28987', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'sylvic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:sylvic acid', 'http://purl.obolibrary.org/obo/CHEBI_28987', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '(-)-Abietic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:514-10-3', 'https://commonchemistry.cas.org/detail?cas_rn=514-10-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '(1<em>R</em>,4a<em>R</em>,4b<em>R</em>,10a<em>R</em>)-1,2,3,4,4a,4b,5,6,10,10a-Decahydro-1,4a-dimethyl-7-(1-methylethyl)-1-phenanthrenecarboxylic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:514-10-3', 'https://commonchemistry.cas.org/detail?cas_rn=514-10-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, (1<em>R</em>,4a<em>R</em>,4b<em>R</em>,10a<em>R</em>)-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:514-10-3', 'https://commonchemistry.cas.org/detail?cas_rn=514-10-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, [1<em>R</em>-(1α,4aβ,4bα,10aα)]-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:514-10-3', 'https://commonchemistry.cas.org/detail?cas_rn=514-10-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>l</em>-Abietic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:514-10-3', 'https://commonchemistry.cas.org/detail?cas_rn=514-10-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Abieta-7,13-diene-18-oic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:514-10-3', 'https://commonchemistry.cas.org/detail?cas_rn=514-10-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Abietic acid, (-)-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:514-10-3', 'https://commonchemistry.cas.org/detail?cas_rn=514-10-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 25149', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:514-10-3', 'https://commonchemistry.cas.org/detail?cas_rn=514-10-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Odomit B 10', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:514-10-3', 'https://commonchemistry.cas.org/detail?cas_rn=514-10-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Podocarpa-7,13-dien-15-oic acid, 13-isopropyl-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:514-10-3', 'https://commonchemistry.cas.org/detail?cas_rn=514-10-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'ZAO', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:514-10-3', 'https://commonchemistry.cas.org/detail?cas_rn=514-10-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'ZAO (natural product)', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:514-10-3', 'https://commonchemistry.cas.org/detail?cas_rn=514-10-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=abieticacid||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=514-10-3; added Common Chemistry CAS names as altLabel: (-)-Abietic acid, (1<em>R</em>,4a<em>R</em>,4b<em>R</em>,10a<em>R</em>)-1,2,3,4,4a,4b,5,6,10,10a-Decahydro-1,4a-dimethyl-7-(1-methylethyl)-1-phenanthrenecarboxylic acid, 1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, (1<em>R</em>,4a<em>R</em>,4b<em>R</em>,10a<em>R</em>)-, 1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, [1<em>R</em>-(1α,4aβ,4bα,10aα)]-, <em>l</em>-Abietic acid, Abieta-7,13-diene-18-oic acid, Abietic acid, (-)-, NSC 25149, Odomit B 10, Podocarpa-7,13-dien-15-oic acid, 13-isopropyl-, ZAO, ZAO (natural product); object_uuid=fo-4d4c533cd12ad598
cas_match_labels None {'514-10-3': 'exactMatch'} group_key=abieticacid||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'514-10-3': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-4d4c533cd12ad598: {'514-10-3': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

{
  "uuid": "45e129c4-a0a4-45ed-92d3-7e530db7633e",
  "name": null,
  "cas_numbers": [
    "514-10-3"
  ],
  "ec_numbers": [
    "208-178-3"
  ],
  "context": {
    "dimension": "Environmental",
    "media": "Water",
    "water_body": "Surface water"
  },
  "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": 65095.0
    },
    {
      "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": 65095.0
    }
  ],
  "source": "EF 3.1",
  "identifier": "45e129c4-a0a4-45ed-92d3-7e530db7633e",
  "input_datasets": [
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      "source_flow_uuid": "45e129c4-a0a4-45ed-92d3-7e530db7633e",
      "source_flow_name": "abietic acid",
      "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 water",
          "Emissions to fresh water"
        ]
      }
    }
  ],
  "prefLabel": [
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      "@value": "Abietic Acid",
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    "skos:definition": "enrich_references",
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  "context_iri": "https://vocab.brightway.one/flow-contexts/envi-wate-suwa",
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  "properties": {
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