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CHEBI:70517 - Meliasenin I, (rel)-

Default Structure
ChEBI IDCHEBI:70517
ChEBI NameMeliasenin I, (rel)-
Stars
DefinitionA natural product found in Melia toosendan.
Last Modified22 September 2014
DownloadsMolfile
FormulaC30H50O4
Net Charge0
Average Mass474.726
Monoisotopic Mass474.37091
SMILES[H][C@@]1([C@H](C)C/C=C/C(C)(C)OO)[C@@H](O)C[C@]2(C)C3=CC[C@@]4([H])C(C)(C)[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@@]12C
InChIInChI=1S/C30H50O4/c1-19(10-9-15-26(2,3)34-33)25-22(31)18-30(8)21-11-12-23-27(4,5)24(32)14-16-28(23,6)20(21)13-17-29(25,30)7/h9,11,15,19-20,22-25,31-33H,10,12-14,16-18H2,1-8H3/b15-9+/t19-,20+,22+,23+,24+,25-,28-,29+,30-/m1/s1
InChIKeyGXIUUQNLOQDGBR-OVBRUCOYSA-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)
Meliasenin I, (rel)- (CHEBI:70517) has role metabolite (CHEBI:25212)
Meliasenin I, (rel)- (CHEBI:70517) is a triterpenoid (CHEBI:36615)
Synonym  Source
rel-(20R,23E)-25-hydroperoxyeupha-7,23-diene-3beta,16beta-diolChEBI
Citations