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CHEBI:196981 - 17-epi-17-A4-NeuroP

ChEBI IDCHEBI:196981
ChEBI Name17-epi-17-A4-NeuroP
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H30O4
Net Charge0
Average Mass358.478
Monoisotopic Mass358.21441
SMILESCC/C=C\C[C@@H](O)/C=C/[C@@H]1C=CC(=O)[C@@H]1C/C=C\C/C=C\CCC(=O)O
InChIInChI=1S/C22H30O4/c1-2-3-8-11-19(23)16-14-18-15-17-21(24)20(18)12-9-6-4-5-7-10-13-22(25)26/h3,5-9,14-20,23H,2,4,10-13H2,1H3,(H,25,26)/b7-5-,8-3-,9-6-,16-14+/t18-,19-,20-/m1/s1
InChIKeyPZZPBKUCSRYFHC-RSBCYNBKSA-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)
17-epi-17-A4-NeuroP (CHEBI:196981) is a medium-chain fatty acid (CHEBI:59554)
IUPAC Name 
(4Z,7Z)-9-[(1R,2R)-2-[(1E,3R,5Z)-3-hydroxyocta-1,5-dienyl]-5-oxocyclopent-3-en-1-yl]nona-4,7-dienoic acid
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