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CHEBI:70578 - (22E,24S)-5alpha,8alpha-epidioxy-24-methylcholesta-6,9,22-trien-3beta -ol

ChEBI IDCHEBI:70578
ChEBI Name(22E,24S)-5alpha,8alpha-epidioxy-24-methylcholesta-6,9,22-trien-3beta -ol
Stars
DefinitionA natural product found in Melia toosendan.
Last Modified22 September 2014
DownloadsMolfile
FormulaC28H42O3
Net Charge0
Average Mass426.641
Monoisotopic Mass426.31340
SMILES[H][C@@]12CC[C@]([H])([C@H](C)/C=C/[C@@H](C)C(C)C)[C@@]1(C)CC=C1[C@@]3(C)CC[C@H](O)C[C@]34C=C[C@@]12OO4
InChIInChI=1S/C28H42O3/c1-18(2)19(3)7-8-20(4)22-9-10-23-25(22,5)13-12-24-26(6)14-11-21(29)17-27(26)15-16-28(23,24)31-30-27/h7-8,12,15-16,18-23,29H,9-11,13-14,17H2,1-6H3/b8-7+/t19-,20-,21+,22-,23-,25-,26-,27-,28+/m1/s1
InChIKeyFWPYIYVSYQRISA-ASXQMYNESA-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)
(22E,24S)-5alpha,8alpha-epidioxy-24-methylcholesta-6,9,22-trien-3beta -ol (CHEBI:70578) has role metabolite (CHEBI:25212)
(22E,24S)-5alpha,8alpha-epidioxy-24-methylcholesta-6,9,22-trien-3beta -ol (CHEBI:70578) is a ergostanoid (CHEBI:50403)
Citations