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CHEBI:68103 - 3-epioleanolic acid

Default Structure
ChEBI IDCHEBI:68103
ChEBI Name3-epioleanolic acid
Stars
DefinitionA natural product found in Radermachera boniana.
Last Modified22 September 2014
DownloadsMolfile
FormulaC30H48O3
Net Charge0
Average Mass456.711
Monoisotopic Mass456.36035
SMILES[H][C@]12CC=C3[C@]4([H])CC(C)(C)CC[C@]4(C(=O)O)CC[C@@]3(C)[C@]1(C)CC[C@@]1([H])C(C)(C)[C@H](O)CC[C@]21C
InChIInChI=1S/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,23+,27-,28+,29+,30-/m0/s1
InChIKeyMIJYXULNPSFWEK-KDQGZELNSA-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-epioleanolic acid (CHEBI:68103) has role metabolite (CHEBI:25212)
3-epioleanolic acid (CHEBI:68103) is a triterpenoid (CHEBI:36615)
Synonym  Source
(3alpha)-3-hydroxyolean-12-en-28-oic acidChEBI
Manual XrefsDatabases
HMDB0036962HMDB
Citations