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CHEBI:70521 - Meliasenin M, (rel)-

Default Structure
ChEBI IDCHEBI:70521
ChEBI NameMeliasenin M, (rel)-
Stars
DefinitionA natural product found in Melia toosendan.
Last Modified22 September 2014
DownloadsMolfile
FormulaC30H44O5
Net Charge0
Average Mass484.677
Monoisotopic Mass484.31887
SMILES[H][C@]12[C@]3(C)CC[C@@]4([H])C(=CC[C@@]5([H])C(C)(C)C(=O)CC[C@]45C)[C@@]3(C)C[C@]1([H])OC(=O)[C@]2([H])C/C=C/C(C)(C)OO
InChIInChI=1S/C30H44O5/c1-26(2,35-33)14-8-9-18-24-21(34-25(18)32)17-30(7)20-10-11-22-27(3,4)23(31)13-15-28(22,5)19(20)12-16-29(24,30)6/h8,10,14,18-19,21-22,24,33H,9,11-13,15-17H2,1-7H3/b14-8+/t18-,19+,21+,22+,24-,28-,29+,30-/m1/s1
InChIKeyLQPSEQWINGOYLK-UHVZVPEASA-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 M, (rel)- (CHEBI:70521) has role metabolite (CHEBI:25212)
Meliasenin M, (rel)- (CHEBI:70521) is a triterpenoid (CHEBI:36615)
Synonym  Source
rel-(23E)-25-hydroperoxyeupha-7,23-dien-3-oxo-16beta,21beta-olideChEBI
Citations