CHEBI:70518 - Meliasenin J, rel-

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ChEBI Name Meliasenin J, rel-
ChEBI ID CHEBI:70518
Definition A natural product found in Melia toosendan.
Stars This entity has been manually annotated by a third party.
Supplier Information ChemicalBook:CB0675060, eMolecules:707688, ZINC000019735340
Download Molfile XML SDF
Formula C30H48O4
Net Charge 0
Average Mass 472.69970
Monoisotopic Mass 472.35526
InChI InChI=1S/C30H48O4/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/h9,11,15,19-20,22-23,25,31,33H,10,12-14,16-18H2,1-8H3/b15-9+/t19-,20+,22+,23+,25-,28-,29+,30-/m1/s1
InChIKey KXEPOJYGPBBQJS-LKJGIETFSA-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(=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 J, rel- (CHEBI:70518) has role metabolite (CHEBI:25212)
Meliasenin J, rel- (CHEBI:70518) is a triterpenoid (CHEBI:36615)
Synonym Source
rel-(20R,23E)-25-hydroperoxyeupha-7,23-dien-16beta-ol-3-one ChEBI
Citation
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:cholestanoid(CHEBI:50401); ISA:3-oxo steroid(CHEBI:47788); ISA:3-oxo Delta(7)-steroid(CHEBI:71598); ISA:16beta-hydroxy steroid(CHEBI:17354); ISA:steroid(CHEBI:35341); ISA:cyclohexanones(CHEBI:23482); ISA:organic hydroxy compound(CHEBI:33822); ISA:secondary alcohol(CHEBI:35681); ISA:peroxol(CHEBI:35924);