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CHEBI:172778 - 3'-(2'',3''-Digalloylglucosyl)-phloroacetophenone

ChEBI IDCHEBI:172778
ChEBI Name3'-(2'',3''-Digalloylglucosyl)-phloroacetophenone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H26O17
Net Charge0
Average Mass634.499
Monoisotopic Mass634.11700
SMILESCC(=O)c1c(O)cc(O)c(C2OC(CO)C(O)C(OC(=O)c3cc(O)c(O)c(O)c3)C2OC(=O)c2cc(O)c(O)c(O)c2)c1O
InChIInChI=1S/C28H26O17/c1-8(30)18-11(31)6-12(32)19(23(18)40)24-26(45-28(42)10-4-15(35)21(38)16(36)5-10)25(22(39)17(7-29)43-24)44-27(41)9-2-13(33)20(37)14(34)3-9/h2-6,17,22,24-26,29,31-40H,7H2,1H3
InChIKeyNJYDDAGEVQMOBI-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2633)
ChEBI Ontology
Outgoing Relation(s)
3'-(2'',3''-Digalloylglucosyl)-phloroacetophenone (CHEBI:172778) is a glycoside (CHEBI:24400)
IUPAC Name 
[2-(3-acetyl-2,4,6-trihydroxyphenyl)-5-hydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxybenzoyl)oxyoxan-4-yl] 3,4,5-trihydroxybenzoate
Manual XrefsDatabases
35014978ChemSpider
HMDB0040624HMDB