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

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ChEBI Name (20S)-5-Stigmastene-3beta,7alpha,16beta,20-tetrol
ChEBI ID CHEBI:70526
Definition A natural product found in Melia toosendan.
Stars This entity has been manually annotated by a third party.
Supplier Information ZINC000096086436
Download Molfile XML SDF
Formula C29H50O4
Net Charge 0
Average Mass 462.70490
Monoisotopic Mass 462.37091
InChI InChI=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
InChIKey QQIRXWCVWAZWTD-WSLQZDJSSA-N
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@]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 (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)
Citation Type Source
20961091 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:triterpenoid(CHEBI:36615); ISA:3beta-hydroxy steroid(CHEBI:36836); ISA:7-hydroxy steroid(CHEBI:36844); ISA:16beta-hydroxy steroid(CHEBI:17354); ISA:steroid(CHEBI:35341); ISA:tertiary alcohol(CHEBI:26878); ISA:secondary alcohol(CHEBI:35681); ISA:polyol(CHEBI:26191); ISA:organic hydroxy compound(CHEBI:33822);