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CHEBI:68100 - bonianic acid A, (rel)-

ChEBI IDCHEBI:68100
ChEBI Namebonianic acid A, (rel)-
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[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=C(C)C
InChIInChI=1S/C32H50O4/c1-20(2)9-8-10-21(3)23-13-15-29(6)24-11-12-25-30(7,27(34)35)26(36-22(4)33)14-16-31(25)19-32(24,31)18-17-28(23,29)5/h9,21,23-26H,8,10-19H2,1-7H3,(H,34,35)/t21-,23-,24+,25+,26+,28-,29+,30+,31-,32+/m1/s1
InChIKeyLALJNSPMSICJKG-CDQXLAKPSA-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 A, (rel)- (CHEBI:68100) has role metabolite (CHEBI:25212)
bonianic acid A, (rel)- (CHEBI:68100) is a triterpenoid (CHEBI:36615)
Synonyms  Source
rel-(3beta,9beta)-3-Acetoxy-9,19-cyclolanost-24-en-28-oic acidChEBI
rel-3beta-O-acetylcycloart-24-en-28-oic acidChEBI
Citations