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CHEBI:69744 - lupeol acetate

Default Structure
ChEBI IDCHEBI:69744
ChEBI Namelupeol acetate
Stars
Secondary ChEBI IDCHEBI:6571
Last Modified28 July 2014
DownloadsMolfile
FormulaC32H52O2
Net Charge0
Average Mass468.766
Monoisotopic Mass468.39673
SMILES[H][C@]12CC[C@@]3([H])[C@@](C)(CC[C@@]4(C)CC[C@@H](C(=C)C)[C@@]43[H])[C@]1(C)CC[C@@]1([H])C(C)(C)[C@@H](OC(C)=O)CC[C@]21C
InChIInChI=1S/C32H52O2/c1-20(2)22-12-15-29(6)18-19-31(8)23(27(22)29)10-11-25-30(7)16-14-26(34-21(3)33)28(4,5)24(30)13-17-32(25,31)9/h22-27H,1,10-19H2,2-9H3/t22-,23+,24-,25+,26-,27+,29+,30-,31+,32+/m0/s1
InChIKeyODSSDTBFHAYYMD-YOJQYFTNSA-N
Species of MetaboliteComponentSourceComments
Ficus mucuso (ncbitaxon:309328) fruit (BTO:0000486) PubMed (21619045) Methanolic extract of air-dried and powdered figs(fruits)
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
lupeol acetate (CHEBI:69744) has role metabolite (CHEBI:25212)
lupeol acetate (CHEBI:69744) is a organic molecular entity (CHEBI:50860)
Synonyms  Source
3-AcetyllupeolKEGG COMPOUND
(3beta)-Lup-20(29)-en-3-yl acetateChEBI
Lupeol acetateKEGG COMPOUND
Manual XrefsDatabases
0001617681ChemIDplus
C00003750KNApSAcK
C08630KEGG COMPOUND
Registry NumbersSources
CAS:1617-68-1KEGG COMPOUND
Citations