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CHEBI:192961 - 12-deoxy-J2-IsoP

ChEBI IDCHEBI:192961
ChEBI Name12-deoxy-J2-IsoP
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H28O3
Net Charge0
Average Mass316.441
Monoisotopic Mass316.20384
SMILESCCCCC/C=C\C/C=C/C=C1/C(=O)C=C[C@@H]1CCCC(=O)O
InChIInChI=1S/C20H28O3/c1-2-3-4-5-6-7-8-9-10-13-18-17(15-16-19(18)21)12-11-14-20(22)23/h6-7,9-10,13,15-17H,2-5,8,11-12,14H2,1H3,(H,22,23)/b7-6-,10-9+,18-13+/t17-/m0/s1
InChIKeyZLXLLWHVBPUBML-MNOHRBOLSA-N
Species of MetaboliteComponentSourceComments
Cryptomeria (ncbitaxon:3368) needle (BTO:0000917) MetaboLights (MTBLS3183) Strain: Cryptomeria fortunei Hooibrenk
ChEBI Ontology
Outgoing Relation(s)
12-deoxy-J2-IsoP (CHEBI:192961) is a cyclic ketone (CHEBI:3992)
IUPAC Name 
4-[(1S,5E)-4-oxo-5-[(2E,5Z)-undeca-2,5-dienylidene]cyclopent-2-en-1-yl]butanoic acid
Manual XrefsDatabases
113369540ChemSpider
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