CHEBI:68101 - bonianic acid B, (rel)-

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name bonianic acid B, (rel)-
ChEBI ID CHEBI:68101
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 C32H50O5
Net Charge 0
Average Mass 514.73640
Monoisotopic Mass 514.36582
InChI InChI=1S/C32H50O5/c1-19(2)23(34)9-8-20(3)22-12-14-29(6)24-10-11-25-30(7,27(35)36)26(37-21(4)33)13-15-31(25)18-32(24,31)17-16-28(22,29)5/h19-20,22,24-26H,8-18H2,1-7H3,(H,35,36)/t20-,22-,24+,25+,26+,28-,29+,30+,31-,32+/m1/s1
InChIKey ZVKOTDKTSIZJGD-RCYNUSLWSA-N
SMILES [H][C@@]1(CC[C@@]2(C)[C@]3([H])CC[C@@]4([H])[C@@](C)([C@H](CC[C@@]44C[C@@]34CC[C@]12C)OC(C)=O)C(O)=O)[C@H](C)CCC(=O)C(C)C
Metabolite of Species Details
Radermachera boniana (IPNI:110489-1) Found in twig (BTO:0001411). Ethylacetate extract of dried and ground mixture of twigs and leaves See: PubMed
Radermachera boniana (IPNI:110489-1) Found in leaf (BTO:0000713). 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 bonianic acid B, (rel)- (CHEBI:68101) has role metabolite (CHEBI:25212)
bonianic acid B, (rel)- (CHEBI:68101) is a triterpenoid (CHEBI:36615)
Synonyms Sources
rel-(3beta,9beta)-3-Acetoxy-24-oxo-9,19-cyclolanostan-28-oic acid ChEBI
rel-3beta-O-acetylcycloart-24-one-28-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:triterpenoid(CHEBI:36615); ISA:bile acid(CHEBI:3098); ISA:steroid ester(CHEBI:47880); ISA:steroid acid(CHEBI:47891); ISA:oxo steroid(CHEBI:35789); ISA:hydroxy steroid(CHEBI:35350); ISA:ketone(CHEBI:17087); ISA:carboxylic ester(CHEBI:33308); ISA:ether(CHEBI:25698); ISA:carboxylic acid(CHEBI:33575); ISA:organonitrogen compound(CHEBI:35352); ISA:monocarboxylic acid(CHEBI:25384);