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CHEBI:187240 - Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin

ChEBI IDCHEBI:187240
ChEBI NameDide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H31NO14
Net Charge0
Average Mass509.461
Monoisotopic Mass509.17445
SMILESN#C/C=C1/C(OC2OC(CO)C(O)C(O)C2O)CC(OC2OC(CO)C(O)C(O)C2O)C(O)C1O
InChIInChI=1S/C20H31NO14/c21-2-1-6-7(32-19-17(30)15(28)13(26)9(4-22)34-19)3-8(12(25)11(6)24)33-20-18(31)16(29)14(27)10(5-23)35-20/h1,7-20,22-31H,3-5H2/b6-1-
InChIKeyXJQKQFRVSPIUIR-BHQIHCQQSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin (CHEBI:187240) is a glycoside (CHEBI:24400)
IUPAC Name 
(2E)-2-[2,3-dihydroxy-4,6-bis[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]cyclohexylidene]acetonitrile
Manual XrefsDatabases
HMDB0038329HMDB