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CHEBI:196983 - 20-epi-20-A4-NeuroP

ChEBI IDCHEBI:196983
ChEBI Name20-epi-20-A4-NeuroP
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H30O4
Net Charge0
Average Mass358.478
Monoisotopic Mass358.21441
SMILESCC[C@@H](O)/C=C/[C@@H]1C=CC(=O)[C@@H]1C/C=C\C/C=C\C/C=C\CCC(=O)O
InChIInChI=1S/C22H30O4/c1-2-19(23)16-14-18-15-17-21(24)20(18)12-10-8-6-4-3-5-7-9-11-13-22(25)26/h3-4,7-10,14-20,23H,2,5-6,11-13H2,1H3,(H,25,26)/b4-3-,9-7-,10-8-,16-14+/t18-,19-,20-/m1/s1
InChIKeyDLGHMOIPLKOVLU-TVCKGYJTSA-N
Species of MetaboliteComponentSourceComments
Cannabis sativa (ncbitaxon:3483) inflorescence (BTO:0000628) MetaboLights (MTBLS6032) Strain: Cannabis sativa var. DMG265
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
20-epi-20-A4-NeuroP (CHEBI:196983) is a long-chain fatty acid (CHEBI:15904)
IUPAC Name 
(4Z,7Z,10Z)-12-[(1R,2R)-2-[(E,3R)-3-hydroxypent-1-enyl]-5-oxocyclopent-3-en-1-yl]dodeca-4,7,10-trienoic acid
Manual XrefsDatabases
113370466ChemSpider
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