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CHEBI:172751 - beta-Sitosterol 3-O-beta-D-galactopyranoside

ChEBI IDCHEBI:172751
ChEBI Namebeta-Sitosterol 3-O-beta-D-galactopyranoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H60O6
Net Charge0
Average Mass576.859
Monoisotopic Mass576.43899
SMILESCCC(CCC(C)C1CCC2C3CC=C4CC(OC5OC(CO)C(O)C(O)C5O)CCC4(C)C3CCC12C)C(C)C
InChIInChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3
InChIKeyNPJICTMALKLTFW-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2633)
ChEBI Ontology
Outgoing Relation(s)
beta-Sitosterol 3-O-beta-D-galactopyranoside (CHEBI:172751) has parent hydride stigmastane (CHEBI:26773)
beta-Sitosterol 3-O-beta-D-galactopyranoside (CHEBI:172751) is a steroid (CHEBI:35341)
IUPAC Name 
2-[[17-(5-ethyl-6-methylheptan-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
LMST01040251LIPID MAPS
261366ChemSpider
HMDB0033949HMDB