CHEBI:69744 - lupeol acetate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name lupeol acetate
ChEBI ID CHEBI:69744
Stars This entity has been manually annotated by a third party.
Secondary ChEBI IDs CHEBI:6571
Supplier Information
Download Molfile XML SDF
Formulae C32H52O2
C32H52O2
Net Charge 0
Average Mass 468.75410
Monoisotopic Mass 468.39673
InChI InChI=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
InChIKey ODSSDTBFHAYYMD-YOJQYFTNSA-N
SMILES [H][C@]12CC[C@]3([H])[C@@]4(C)CC[C@H](OC(C)=O)C(C)(C)[C@]4([H])CC[C@@]3(C)[C@]1(C)CC[C@@]1(C)CC[C@@H](C(C)=C)[C@]21[H]
Metabolite of Species Details
Ficus mucuso (NCBI:txid309328) Found in fruit (BTO:0000486). Methanolic extract of air-dried and powdered figs(fruits) See: PubMed
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing lupeol acetate (CHEBI:69744) has role metabolite (CHEBI:25212)
lupeol acetate (CHEBI:69744) is a organic molecular entity (CHEBI:50860)
Synonyms Sources
(3beta)-Lup-20(29)-en-3-yl acetate ChEBI
3-Acetyllupeol KEGG COMPOUND
Lupeol acetate KEGG COMPOUND
Manual Xrefs Databases
0001617681 ChemIDplus
C00003750 KNApSAcK
C08630 KEGG COMPOUND
View more database links
Registry Number Type Source
1617-68-1 CAS Registry Number KEGG COMPOUND
Citation Waiting for Citations Type Source
21619045 PubMed citation Europe PMC
Last Modified
28 July 2014