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CHEBI:192921 - 8-deoxy-J2-IsoP

ChEBI IDCHEBI:192921
ChEBI Name8-deoxy-J2-IsoP
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H28O3
Net Charge0
Average Mass316.441
Monoisotopic Mass316.20384
SMILESCCCCC[C@@H]1C(=O)C=C/C1=C/C=C/C/C=C\CCCC(=O)O
InChIInChI=1S/C20H28O3/c1-2-3-9-13-18-17(15-16-19(18)21)12-10-7-5-4-6-8-11-14-20(22)23/h4,6-7,10,12,15-16,18H,2-3,5,8-9,11,13-14H2,1H3,(H,22,23)/b6-4-,10-7+,17-12-/t18-/m0/s1
InChIKeyJTSWNPYSJJAOQQ-UILHMMCHSA-N
Species of MetaboliteComponentSourceComments
Cryptomeria (ncbitaxon:3368) needle (BTO:0000917) MetaboLights (MTBLS3183) Strain: Cryptomeria fortunei Hooibrenk
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
8-deoxy-J2-IsoP (CHEBI:192921) is a medium-chain fatty acid (CHEBI:59554)
IUPAC Name 
(5Z,8E,10Z)-10-[(5S)-4-oxo-5-pentylcyclopent-2-en-1-ylidene]deca-5,8-dienoic acid
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