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CHEBI:68104 - 3-alpha-O-acetyl-alpha-boswellic acid

Default Structure
ChEBI IDCHEBI:68104
ChEBI Name3-alpha-O-acetyl-alpha-boswellic acid
Stars
DefinitionA natural product found in Radermachera boniana.
Last Modified22 September 2014
DownloadsMolfile
FormulaC32H50O4
Net Charge0
Average Mass498.748
Monoisotopic Mass498.37091
SMILES[H][C@]12CC=C3[C@]4([H])CC(C)(C)CC[C@]4(C)CC[C@@]3(C)[C@]1(C)CC[C@]1([H])[C@]2(C)CC[C@@H](OC(C)=O)[C@]1(C)C(=O)O
InChIInChI=1S/C32H50O4/c1-20(33)36-25-12-13-29(5)23-10-9-21-22-19-27(2,3)15-16-28(22,4)17-18-30(21,6)31(23,7)14-11-24(29)32(25,8)26(34)35/h9,22-25H,10-19H2,1-8H3,(H,34,35)/t22-,23+,24+,25+,28+,29+,30+,31+,32+/m0/s1
InChIKeyIAWGZKRQDHPFCZ-OBHGTAHRSA-N
Species of MetaboliteComponentSourceComments
Radermachera boniana (IPNI:110489-1)
leaf (BTO:0000713) PubMed (21469696) Ethylacetate extract of dried and ground mixture of twigs and leaves
twig (BTO:0001411) PubMed (21469696) Ethylacetate extract of dried and ground mixture of twigs and leaves
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)
3-alpha-O-acetyl-alpha-boswellic acid (CHEBI:68104) has role metabolite (CHEBI:25212)
3-alpha-O-acetyl-alpha-boswellic acid (CHEBI:68104) is a triterpenoid (CHEBI:36615)
Synonym  Source
(3alpha)-3-Acetoxyolean-12-en-24-oic acidChEBI
Citations