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CHEBI:168877 - Avocadene 2-acetate

ChEBI IDCHEBI:168877
ChEBI NameAvocadene 2-acetate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H36O4
Net Charge0
Average Mass328.493
Monoisotopic Mass328.26136
SMILESC=CCCCCCCCCCCCC(O)CC(CO)OC(C)=O
InChIInChI=1S/C19H36O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-18(22)15-19(16-20)23-17(2)21/h3,18-20,22H,1,4-16H2,2H3
InChIKeyLUIGTZGBXWZJAX-UHFFFAOYSA-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)
Avocadene 2-acetate (CHEBI:168877) is a long-chain fatty alcohol (CHEBI:17135)
IUPAC Name 
1,4-dihydroxyheptadec-16-en-2-yl acetate
Manual XrefsDatabases
24022888ChemSpider
HMDB0031044HMDB
LMFA05000641LIPID MAPS