CHEBI:182146 - beta-D-Glucopyranoside, 5-methyl-2-(1-methylethyl)phenyl

ChEBI IDCHEBI:182146
ChEBI Namebeta-D-Glucopyranoside, 5-methyl-2-(1-methylethyl)phenyl
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H24O6
Net Charge0
Average Mass312.362
Monoisotopic Mass312.15729
SMILESCc1ccc(C(C)C)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1
InChIInChI=1S/C16H24O6/c1-8(2)10-5-4-9(3)6-11(10)21-16-15(20)14(19)13(18)12(7-17)22-16/h4-6,8,12-20H,7H2,1-3H3/t12-,13-,14+,15-,16-/m1/s1
InChIKeyGKQGIQVSMCHAFX-IBEHDNSVSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) small intestine (BTO:0000651) MetaboLights (MTBLS3486) Strain: C57BL/6 Mouse [THESAURUS.OWL#C14424]
Nippostrongylus brasiliensis (ncbitaxon:27835) Whole Organism (NCIT:C13413) MetaboLights (MTBLS3486)
ChEBI Ontology
Outgoing Relation(s)
beta-D-Glucopyranoside, 5-methyl-2-(1-methylethyl)phenyl (CHEBI:182146) is a terpene glycoside (CHEBI:61777)
IUPAC Name 
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(5-methyl-2-propan-2-ylphenoxy)oxane-3,4,5-triol
Manual XrefsDatabases
80023ChemSpider
Registry NumbersSources
CAS:20772-23-0ChemIDplus