CHEBI:70529 - methyl kulonate

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ChEBI Name methyl kulonate
ChEBI ID CHEBI:70529
Definition A natural product found in Melia toosendan.
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C31H48O4
Net Charge 0
Average Mass 484.71040
Monoisotopic Mass 484.35526
InChI InChI=1S/C31H48O4/c1-19(2)10-9-11-20(27(34)35-8)26-23(32)18-31(7)22-12-13-24-28(3,4)25(33)15-16-29(24,5)21(22)14-17-30(26,31)6/h10,12,20-21,23-24,26,32H,9,11,13-18H2,1-8H3/t20-,21+,23+,24+,26-,29-,30+,31-/m1/s1
InChIKey ZLOYHDGVJFCYJK-RLIKWOGQSA-N
SMILES [H][C@]12CC[C@@]3(C)[C@@]([H])([C@@H](O)C[C@]3(C)C1=CC[C@@]1([H])C(C)(C)C(=O)CC[C@]21C)[C@@H](CCC=C(C)C)C(=O)OC
Metabolite of Species Details
Melia toosendan (NCBI:txid71608) Found in fruit (BTO:0000486). 95% ethanolic extract of dried fruits 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 methyl kulonate (CHEBI:70529) has role metabolite (CHEBI:25212)
methyl kulonate (CHEBI:70529) is a triterpenoid (CHEBI:36615)
Synonym Source
Methyl(13alpha,14beta,16beta,17alpha)-16-hydroxy-3-oxolanosta-7,24-dien-21-oate ChEBI
Citation Waiting for Citations Type Source
20961091 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:cholestanoid(CHEBI:50401); ISA:bile acid(CHEBI:3098); ISA:16beta-hydroxy steroid(CHEBI:17354); ISA:3-oxo steroid(CHEBI:47788); ISA:3-oxo Delta(7)-steroid(CHEBI:71598); ISA:steroid(CHEBI:35341); ISA:cyclohexanones(CHEBI:23482); ISA:carboxylic ester(CHEBI:33308); ISA:organic hydroxy compound(CHEBI:33822); ISA:secondary alcohol(CHEBI:35681); ISA:ether(CHEBI:25698); ISA:monocarboxylic acid(CHEBI:25384); ISA:organonitrogen compound(CHEBI:35352);