CHEBI:192961 - 12-deoxy-J2-IsoP

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 12-deoxy-J2-IsoP
ChEBI ID CHEBI:192961
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C20H28O3
Net Charge 0
Average Mass 316.441
Monoisotopic Mass 316.20384
InChI InChI=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
InChIKey ZLXLLWHVBPUBML-MNOHRBOLSA-N
SMILES O=C1/C(/[C@@H](CCCC(O)=O)C=C1)=C/C=C/C/C=C\CCCCC
Metabolite of Species Details
Cryptomeria (NCBI:txid3368) Found in needle (BTO:0000917). of strain Cryptomeria fortunei Hooibrenk See: MetaboLights Study
ChEBI Ontology
Outgoing 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 Xrefs Databases
113369540 ChemSpider
LMFA03110090 LIPID MAPS
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