CHEBI:193251 - (25S)-Spirostane-3b,5b,6a-triol 3-[4''-rhamnosylglucoside]

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ChEBI Name (25S)-Spirostane-3b,5b,6a-triol 3-[4''-rhamnosylglucoside]
ChEBI ID CHEBI:193251
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C39H64O14
Net Charge 0
Average Mass 756.927
Monoisotopic Mass 756.42961
InChI InChI=1S/C39H64O14/c1-17-6-11-39(48-16-17)18(2)27-24(53-39)13-23-21-12-26(41)38(47)14-20(7-10-37(38,5)22(21)8-9-36(23,27)4)50-35-32(46)30(44)33(25(15-40)51-35)52-34-31(45)29(43)28(42)19(3)49-34/h17-35,40-47H,6-16H2,1-5H3
InChIKey GBRQGKIXYHHYOW-UHFFFAOYSA-N
SMILES O1C2C(C3(C(C4C(C5(C(O)(C(O)C4)CC(OC6OC(C(OC7OC(C(O)C(O)C7O)C)C(O)C6O)CO)CC5)C)CC3)C2)C)C(C18OCC(CC8)C)C
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in feces (BTO:0000440). See: MetaboLights Study
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.
(via saponin )
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ChEBI Ontology
Outgoing (25S)-Spirostane-3b,5b,6a-triol 3-[4''-rhamnosylglucoside] (CHEBI:193251) is a steroid saponin (CHEBI:61655)
IUPAC Name
2-[6-(18,19-dihydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl)oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-methyloxane-3,4,5-triol
Manual Xref Database
HMDB0035488 HMDB
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