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CHEBI:70529 - methyl kulonate

Default Structure
ChEBI IDCHEBI:70529
ChEBI Namemethyl kulonate
Stars
DefinitionA natural product found in Melia toosendan.
Last Modified22 September 2014
DownloadsMolfile
FormulaC31H48O4
Net Charge0
Average Mass484.721
Monoisotopic Mass484.35526
SMILES[H][C@@]1([C@@H](CCC=C(C)C)C(=O)OC)[C@@H](O)C[C@]2(C)C3=CC[C@@]4([H])C(C)(C)C(=O)CC[C@]4(C)[C@@]3([H])CC[C@@]12C
InChIInChI=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
InChIKeyZLOYHDGVJFCYJK-RLIKWOGQSA-N
Species of MetaboliteComponentSourceComments
Melia toosendan (ncbitaxon:71608) fruit (BTO:0000486) PubMed (20961091) 95% ethanolic extract of dried fruits
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)
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-oateChEBI
Citations