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CHEBI:168336 - Persin

ChEBI IDCHEBI:168336
ChEBI NamePersin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H40O4
Net Charge0
Average Mass380.569
Monoisotopic Mass380.29266
SMILESCCCCC/C=C\C/C=C\CCCCCCCC(=O)CC(O)COC(C)=O
InChIInChI=1S/C23H40O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(25)19-23(26)20-27-21(2)24/h7-8,10-11,23,26H,3-6,9,12-20H2,1-2H3/b8-7-,11-10-
InChIKeyIBDVBNUJEGRVQN-NQLNTKRDSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
Persin (CHEBI:168336) is a long-chain fatty alcohol (CHEBI:17135)
IUPAC Name 
[(12Z,15Z)-2-hydroxy-4-oxohenicosa-12,15-dienyl] acetate
Manual XrefsDatabases
LMFA05000011LIPID MAPS
4446387ChemSpider
HMDB0041103HMDB
Registry NumbersSources
CAS:60640-59-7ChemIDplus