CHEBI:191674 - 1'-O-Galloylsucrose

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 1'-O-Galloylsucrose
ChEBI ID CHEBI:191674
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C19H26O15
Net Charge 0
Average Mass 494.402
Monoisotopic Mass 494.12717
InChI InChI=1S/C19H26O15/c20-3-9-12(25)14(27)15(28)18(32-9)34-19(16(29)13(26)10(4-21)33-19)5-31-17(30)6-1-7(22)11(24)8(23)2-6/h1-2,9-10,12-16,18,20-29H,3-5H2
InChIKey XPQHIVBLCNQLEF-UHFFFAOYSA-N
SMILES O1C(OC2OC(C(O)C(O)C2O)CO)(C(O)C(O)C1CO)COC(=O)C3=CC(O)=C(O)C(O)=C3
Metabolite of Species Details
Ulmus parvifolia (NCBI:txid63058) Found in seed (BTO:0001226). See: MetaboLights Study
Ulmus parvifolia (NCBI:txid63058) Found in bark (BTO:0001301). See: MetaboLights Study
ChEBI Ontology
Outgoing 1'-O-Galloylsucrose (CHEBI:191674) is a gallate ester (CHEBI:37576)
IUPAC Name
[3,4-dihydroxy-5-(hydroxymethyl)-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-yl]methyl 3,4,5-trihydroxybenzoate
Manual Xref Database
HMDB0039283 HMDB
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