CHEBI:70524 - Meliasenin P, (rel)-

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ChEBI Name Meliasenin P, (rel)-
ChEBI ID CHEBI:70524
Definition A natural product found in Melia toosendan.
Stars This entity has been manually annotated by a third party.
Supplier Information ZINC000066156307
Download Molfile XML SDF
Formula C31H50O4
Net Charge 0
Average Mass 486.72630
Monoisotopic Mass 486.37091
InChI InChI=1S/C31H50O4/c1-27(2)23-10-9-21-20(29(23,5)14-13-24(27)32)12-16-30(6)19(11-15-31(21,30)7)18-17-22(34-26(18)33-8)25-28(3,4)35-25/h9,18-20,22-26,32H,10-17H2,1-8H3/t18-,19-,20-,22+,23-,24-,25-,26-,29+,30-,31+/m0/s1
InChIKey GAXWPVGTBQUYCI-HGVUNVDQSA-N
SMILES [H][C@@]1(C[C@]([H])([C@@H](OC)O1)[C@]1([H])CC[C@]2(C)C3=CC[C@@]4([H])C(C)(C)[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@@]12C)[C@]1([H])OC1(C)C
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 Meliasenin P, (rel)- (CHEBI:70524) has role metabolite (CHEBI:25212)
Meliasenin P, (rel)- (CHEBI:70524) is a triterpenoid (CHEBI:36615)
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:steroid(CHEBI:35341); ISA:3beta-hydroxy steroid(CHEBI:36836); ISA:monosaccharide(CHEBI:35381); ISA:oxolanes(CHEBI:26912); ISA:secondary alcohol(CHEBI:35681); ISA:organic hydroxy compound(CHEBI:33822); ISA:acetal(CHEBI:59769); ISA:epoxide(CHEBI:32955); ISA:ether(CHEBI:25698);