CHEBI:66769 - Polpunonic acid

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ChEBI Name Polpunonic acid
ChEBI ID CHEBI:66769
Definition A natural product found in Maytenus diversifolia and Gymnosporia emarginata.
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C30H48O3
Net Charge 0
Average Mass 456.70030
Monoisotopic Mass 456.36035
InChI InChI=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
InChIKey WHWHDGKOSUKYOV-GDXNDQEESA-N
SMILES [H][C@@]12CCC(=O)[C@H](C)[C@@]1(C)CC[C@@]1([H])[C@@]2(C)CC[C@@]2(C)[C@]3([H])C[C@@](C)(CC[C@]3(C)CC[C@]12C)C(O)=O
Metabolite of Species Details
Gymnosporia emarginata (IPNI:161339-1) See: DOI
Maytenus diversifolia (NCBI:txid490239) Found in stem (BTO:0001300). See: PubMed
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Polpunonic acid (CHEBI:66769) has role metabolite (CHEBI:25212)
Polpunonic acid (CHEBI:66769) is a triterpenoid (CHEBI:36615)
Synonyms Sources
3-Oxofriedelan-20alpha-29-oic acid ChEBI
Maytenonic acid ChEBI
Registry Number Type Source
33600-93-0 CAS Registry Number ChemIDplus
Citation Waiting for Citations Type Source
2095372 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:cyclohexanones(CHEBI:23482); ISA:monocarboxylic acid(CHEBI:25384); ISA:carboxylic acid(CHEBI:33575); ISA:organonitrogen compound(CHEBI:35352);