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CHEBI:66769 - Polpunonic acid

Default Structure
ChEBI IDCHEBI:66769
ChEBI NamePolpunonic acid
Stars
DefinitionA natural product found in Maytenus diversifolia and Gymnosporia emarginata.
Last Modified22 September 2014
DownloadsMolfile
FormulaC30H48O3
Net Charge0
Average Mass456.711
Monoisotopic Mass456.36035
SMILES[H][C@]12CC[C@]3(C)[C@@H](C)C(=O)CC[C@@]3([H])[C@]1(C)CC[C@@]1(C)[C@]3([H])C[C@](C)(C(=O)O)CC[C@]3(C)CC[C@]21C
InChIInChI=1S/C30H48O3/c1-19-20(31)8-9-21-27(19,4)11-10-22-28(21,5)15-17-30(7)23-18-26(3,24(32)33)13-12-25(23,2)14-16-29(22,30)6/h19,21-23H,8-18H2,1-7H3,(H,32,33)/t19-,21+,22-,23+,25+,26+,27+,28-,29+,30-/m0/s1
InChIKeyWHWHDGKOSUKYOV-GDXNDQEESA-N
Species of MetaboliteComponentSourceComments
Gymnosporia emarginata (IPNI:161339-1) - DOI (10.1016/S0031-9422(00)80530-0)
Maytenus diversifolia (ncbitaxon:490239) stem (BTO:0001300) PubMed (2095372)
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)
Polpunonic acid (CHEBI:66769) has role metabolite (CHEBI:25212)
Polpunonic acid (CHEBI:66769) is a triterpenoid (CHEBI:36615)
Synonyms  Source
3-Oxofriedelan-20alpha-29-oic acidChEBI
Maytenonic acidChEBI
Registry NumbersSources
CAS:33600-93-0ChemIDplus
Citations