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CHEBI:70526 - (20S)-5-Stigmastene-3beta,7alpha,16beta,20-tetrol

ChEBI IDCHEBI:70526
ChEBI Name(20S)-5-Stigmastene-3beta,7alpha,16beta,20-tetrol
Stars
DefinitionA natural product found in Melia toosendan.
Last Modified22 September 2014
DownloadsMolfile
FormulaC29H50O4
Net Charge0
Average Mass462.715
Monoisotopic Mass462.37091
SMILES[H][C@]12CC[C@@]3(C)[C@@]([H])(C[C@H](O)[C@]3([H])[C@@](C)(O)CC[C@@H](CC)C(C)C)[C@]1([H])[C@H](O)C=C1C[C@@H](O)CC[C@@]12C
InChIInChI=1S/C29H50O4/c1-7-18(17(2)3)8-13-29(6,33)26-24(32)16-22-25-21(10-12-28(22,26)5)27(4)11-9-20(30)14-19(27)15-23(25)31/h15,17-18,20-26,30-33H,7-14,16H2,1-6H3/t18-,20+,21+,22+,23-,24+,25-,26+,27+,28+,29+/m1/s1
InChIKeyQQIRXWCVWAZWTD-WSLQZDJSSA-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)
(20S)-5-Stigmastene-3beta,7alpha,16beta,20-tetrol (CHEBI:70526) has parent hydride stigmastane (CHEBI:26773)
(20S)-5-Stigmastene-3beta,7alpha,16beta,20-tetrol (CHEBI:70526) has role metabolite (CHEBI:25212)
(20S)-5-Stigmastene-3beta,7alpha,16beta,20-tetrol (CHEBI:70526) is a steroid (CHEBI:35341)
Citations