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CHEBI:68102 - 3-O-acetyluncaric acid

Default Structure
ChEBI IDCHEBI:68102
ChEBI Name3-O-acetyluncaric acid
Stars
DefinitionA natural product found in Radermachera boniana.
Last Modified22 September 2014
DownloadsMolfile
FormulaC32H50O6
Net Charge0
Average Mass530.746
Monoisotopic Mass530.36074
SMILES[H][C@]12CC=C3[C@@]4([H])[C@](C(=O)O)(CC[C@@H](C)[C@@]4(C)O)CC[C@@]3(C)[C@]1(C)C[C@@H](O)[C@@]1([H])C(C)(C)[C@@H](OC(C)=O)CC[C@]21C
InChIInChI=1S/C32H50O6/c1-18-11-14-32(26(35)36)16-15-29(6)20(24(32)31(18,8)37)9-10-22-28(5)13-12-23(38-19(2)33)27(3,4)25(28)21(34)17-30(22,29)7/h9,18,21-25,34,37H,10-17H2,1-8H3,(H,35,36)/t18-,21-,22-,23+,24-,25+,28-,29-,30-,31-,32+/m1/s1
InChIKeyKBYMABZAFBTCMQ-IQJXLAGFSA-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)
3-O-acetyluncaric acid (CHEBI:68102) has role metabolite (CHEBI:25212)
3-O-acetyluncaric acid (CHEBI:68102) is a triterpenoid (CHEBI:36615)
Synonym  Source
3beta-O-acetyl-6beta,19alpha-diol-12-ursen-28-oic acidChEBI
Citations