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CHEBI:231201 - Basilimoside

ChEBI IDCHEBI:231201
ChEBI NameBasilimoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H60O6
Net Charge0
Average Mass588.870
Monoisotopic Mass588.43899
SMILESCCC(/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)(C)C
InChIInChI=1S/C36H60O6/c1-8-22(34(3,4)5)10-9-21(2)26-13-14-27-25-12-11-23-19-24(15-17-35(23,6)28(25)16-18-36(26,27)7)41-33-32(40)31(39)30(38)29(20-37)42-33/h9-11,21-22,24-33,37-40H,8,12-20H2,1-7H3/b10-9+/t21-,22?,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,35+,36-/m1/s1
InChIKeyFNGFDRHLEQKDDQ-CMFUQAQTSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
Basilimoside (CHEBI:231201) has parent hydride stigmastane (CHEBI:26773)
Basilimoside (CHEBI:231201) is a steroid (CHEBI:35341)
IUPAC Name 
(2R,3R,4S,5S,6R)-2-[[(3S,8S,9S,10R,13R,14S,17R)-17-[(E,2R)-5-ethyl-6,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Manual XrefsDatabases
HMDB0302040HMDB
17589084ChemSpider