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CHEBI:168403 - Lepidiumterpenyl ester

ChEBI IDCHEBI:168403
ChEBI NameLepidiumterpenyl ester
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H42O4
Net Charge0
Average Mass382.585
Monoisotopic Mass382.30831
SMILESC=CCCCCCOC(=O)C(C)CCCC(C)CCCC(C)CCC(=O)O
InChIInChI=1S/C23H42O4/c1-5-6-7-8-9-18-27-23(26)21(4)15-11-14-19(2)12-10-13-20(3)16-17-22(24)25/h5,19-21H,1,6-18H2,2-4H3,(H,24,25)
InChIKeyPASMASQJCDKBJK-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)
Lepidiumterpenyl ester (CHEBI:168403) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
13-hept-6-enoxy-4,8,12-trimethyl-13-oxotridecanoic acid
Manual XrefsDatabases
HMDB0036865HMDB
9968992ChemSpider