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CHEBI:70532 - (20S)-5-ergostene-3beta,7alpha,16beta,20-tetrol

ChEBI IDCHEBI:70532
ChEBI Name(20S)-5-ergostene-3beta,7alpha,16beta,20-tetrol
Stars
DefinitionA natural product found in Melia toosendan.
Last Modified22 September 2014
DownloadsMolfile
FormulaC28H48O4
Net Charge0
Average Mass448.688
Monoisotopic Mass448.35526
SMILES[H][C@]12CC[C@@]3(C)[C@@]([H])(C[C@H](O)[C@]3([H])[C@@](C)(O)CC[C@@H](C)C(C)C)[C@]1([H])[C@H](O)C=C1C[C@@H](O)CC[C@@]12C
InChIInChI=1S/C28H48O4/c1-16(2)17(3)7-12-28(6,32)25-23(31)15-21-24-20(9-11-27(21,25)5)26(4)10-8-19(29)13-18(26)14-22(24)30/h14,16-17,19-25,29-32H,7-13,15H2,1-6H3/t17-,19+,20+,21+,22-,23+,24-,25+,26+,27+,28+/m1/s1
InChIKeyNAPNLPVMHUZNFG-BHTYWNIDSA-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-ergostene-3beta,7alpha,16beta,20-tetrol (CHEBI:70532) has role metabolite (CHEBI:25212)
(20S)-5-ergostene-3beta,7alpha,16beta,20-tetrol (CHEBI:70532) is a ergostanoid (CHEBI:50403)
Citations