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

Default Structure
ChEBI IDCHEBI:68101
ChEBI Namebonianic acid B, (rel)-
Stars
DefinitionA natural product found in Radermachera boniana.
Last Modified22 September 2014
DownloadsMolfile
FormulaC32H50O5
Net Charge0
Average Mass514.747
Monoisotopic Mass514.36582
SMILES[H][C@@]12CC[C@]3([H])[C@@]4(CC[C@H](OC(C)=O)[C@@]3(C)C(=O)O)C[C@@]14CC[C@@]1(C)[C@@]2(C)CC[C@]1([H])[C@H](C)CCC(=O)C(C)C
InChIInChI=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
InChIKeyZVKOTDKTSIZJGD-RCYNUSLWSA-N
Species of MetaboliteComponentSourceComments
Radermachera boniana (IPNI:110489-1)
twig (BTO:0001411) PubMed (21469696) Ethylacetate extract of dried and ground mixture of twigs and leaves
leaf (BTO:0000713) 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)
bonianic acid B, (rel)- (CHEBI:68101) has role metabolite (CHEBI:25212)
bonianic acid B, (rel)- (CHEBI:68101) is a triterpenoid (CHEBI:36615)
Synonyms  Source
rel-(3beta,9beta)-3-Acetoxy-24-oxo-9,19-cyclolanostan-28-oic acidChEBI
rel-3beta-O-acetylcycloart-24-one-28-oic acidChEBI
Citations