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CHEBI:191625 - 2-O-Galloylsucrose

ChEBI IDCHEBI:191625
ChEBI Name2-O-Galloylsucrose
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H26O15
Net Charge0
Average Mass494.402
Monoisotopic Mass494.12717
SMILESO=C(OC1C(OC2(CO)OC(CO)C(O)C2O)OC(CO)C(O)C1O)c1cc(O)c(O)c(O)c1
InChIInChI=1S/C19H26O15/c20-3-9-12(26)14(28)15(32-17(30)6-1-7(23)11(25)8(24)2-6)18(31-9)34-19(5-22)16(29)13(27)10(4-21)33-19/h1-2,9-10,12-16,18,20-29H,3-5H2
InChIKeyLNFBBISCIPAUAE-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Ulmus parvifolia (ncbitaxon:63058)
bark (BTO:0001301) MetaboLights (MTBLS4572)
seed (BTO:0001226) MetaboLights (MTBLS4572)
ChEBI Ontology
Outgoing Relation(s)
2-O-Galloylsucrose (CHEBI:191625) is a gallate ester (CHEBI:37576)
IUPAC Name 
[2-[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] 3,4,5-trihydroxybenzoate
Manual XrefsDatabases
HMDB0039281HMDB