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CHEBI:70533 - (22E,24S)-5alpha,8alpha-epidioxy-24-methylcholesta-6,22-dien-3beta-ol

ChEBI IDCHEBI:70533
ChEBI Name(22E,24S)-5alpha,8alpha-epidioxy-24-methylcholesta-6,22-dien-3beta-ol
Stars
DefinitionA natural product found in Melia toosendan.
Last Modified22 September 2014
DownloadsMolfile
FormulaC28H44O3
Net Charge0
Average Mass428.657
Monoisotopic Mass428.32905
SMILES[H][C@@]12CC[C@]([H])([C@H](C)/C=C/[C@@H](C)C(C)C)[C@@]1(C)CC[C@]1([H])[C@@]3(C)CC[C@H](O)C[C@]34C=C[C@]21OO4
InChIInChI=1S/C28H44O3/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/h7-8,15-16,18-24,29H,9-14,17H2,1-6H3/b8-7+/t19-,20-,21+,22-,23-,24-,25-,26-,27-,28+/m1/s1
InChIKeyVXOZCESVZIRHCJ-LBMRXTFASA-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-6,22-dien-3beta-ol (CHEBI:70533) has role metabolite (CHEBI:25212)
(22E,24S)-5alpha,8alpha-epidioxy-24-methylcholesta-6,22-dien-3beta-ol (CHEBI:70533) is a ergostanoid (CHEBI:50403)
Citations