CHEBI:70517 - Meliasenin I, (rel)-

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ChEBI Name Meliasenin I, (rel)-
ChEBI ID CHEBI:70517
Definition A natural product found in Melia toosendan.
Stars This entity has been manually annotated by a third party.
Supplier Information No supplier information found for this compound.
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Formula C30H50O4
Net Charge 0
Average Mass 474.71560
Monoisotopic Mass 474.37091
InChI InChI=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
InChIKey GXIUUQNLOQDGBR-OVBRUCOYSA-N
SMILES [H][C@]12CC[C@@]3(C)[C@]([H])([C@H](C)C\C=C\C(C)(C)OO)[C@@H](O)C[C@]3(C)C1=CC[C@@]1([H])C(C)(C)[C@@H](O)CC[C@]21C
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 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-diol ChEBI
Citation 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:16beta-hydroxy steroid(CHEBI:17354); ISA:organic hydroxy compound(CHEBI:33822); ISA:peroxol(CHEBI:35924); ISA:secondary alcohol(CHEBI:35681);