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

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ChEBI Name 3-alpha-O-acetyl-alpha-boswellic acid
ChEBI ID CHEBI:68104
Definition A natural product found in Radermachera boniana.
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C32H50O4
Net Charge 0
Average Mass 498.73700
Monoisotopic Mass 498.37091
InChI InChI=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
InChIKey IAWGZKRQDHPFCZ-OBHGTAHRSA-N
SMILES [H][C@@]12CC(C)(C)CC[C@]1(C)CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@@H](OC(C)=O)[C@](C)(C(O)=O)[C@]3([H])CC[C@@]12C
Metabolite of Species Details
Radermachera boniana (IPNI:110489-1) Found in leaf (BTO:0000713). Ethylacetate extract of dried and ground mixture of twigs and leaves See: PubMed
Radermachera boniana (IPNI:110489-1) Found in twig (BTO:0001411). Ethylacetate extract of dried and ground mixture of twigs and leaves 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 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 acid ChEBI
Citation Waiting for Citations Type Source
21469696 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:hydroxy steroid(CHEBI:35350); ISA:dicarboxylic acid(CHEBI:35692); ISA:carboxylic ester(CHEBI:33308); ISA:carboxylic acid(CHEBI:33575); ISA:ether(CHEBI:25698); ISA:organonitrogen compound(CHEBI:35352); ISA:carbonyl compound(CHEBI:36586);