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CHEBI:70525 - Meliasenin Q

Default Structure
ChEBI IDCHEBI:70525
ChEBI NameMeliasenin Q
Stars
DefinitionA natural product found in Melia toosendan.
Last Modified22 September 2014
DownloadsMolfile
FormulaC47H82O6
Net Charge0
Average Mass743.167
Monoisotopic Mass742.61114
SMILES[H][C@@]1([C@]2([H])C[C@]([H])([C@H](O)C(C)(C)O)O[C@@H]2OC)CC[C@]2(C)C3=CC[C@@]4([H])C(C)(C)[C@@H](OC(=O)CCCCCCCCCCCCCCC)CC[C@]4(C)[C@@]3([H])CC[C@@]12C
InChIInChI=1S/C47H82O6/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-23-40(48)53-39-28-29-45(6)35-27-31-46(7)34(33-32-37(52-42(33)51-9)41(49)44(4,5)50)26-30-47(46,8)36(35)24-25-38(45)43(39,2)3/h24,33-35,37-39,41-42,49-50H,10-23,25-32H2,1-9H3/t33-,34-,35-,37+,38-,39-,41-,42-,45+,46-,47+/m0/s1
InChIKeyMPBJLXGRNXJCFS-YNQRKBCVSA-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 Q (CHEBI:70525) has role metabolite (CHEBI:25212)
Meliasenin Q (CHEBI:70525) is a triterpenoid (CHEBI:36615)
Citations