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CHEBI:169211 - 3'-(2'',3'',4'',6''-Tetrakisgalloylglucosyl)-phloroacetophenone

ChEBI IDCHEBI:169211
ChEBI Name3'-(2'',3'',4'',6''-Tetrakisgalloylglucosyl)-phloroacetophenone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC42H34O25
Net Charge0
Average Mass938.709
Monoisotopic Mass938.13892
SMILESCC(=O)c1c(O)cc(O)c(C2OC(COC(=O)c3cc(O)c(O)c(O)c3)C(OC(=O)c3cc(O)c(O)c(O)c3)C(OC(=O)c3cc(O)c(O)c(O)c3)C2OC(=O)c2cc(O)c(O)c(O)c2)c1O
InChIInChI=1S/C42H34O25/c1-12(43)28-17(44)10-18(45)29(34(28)58)36-38(67-42(62)16-8-25(52)33(57)26(53)9-16)37(66-41(61)15-6-23(50)32(56)24(51)7-15)35(65-40(60)14-4-21(48)31(55)22(49)5-14)27(64-36)11-63-39(59)13-2-19(46)30(54)20(47)3-13/h2-10,27,35-38,44-58H,11H2,1H3
InChIKeyGAJWEROGFQRXSF-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
3'-(2'',3'',4'',6''-Tetrakisgalloylglucosyl)-phloroacetophenone (CHEBI:169211) is a glycoside (CHEBI:24400)
IUPAC Name 
[6-(3-acetyl-2,4,6-trihydroxyphenyl)-3,4,5-tris[(3,4,5-trihydroxybenzoyl)oxy]oxan-2-yl]methyl 3,4,5-trihydroxybenzoate
Manual XrefsDatabases
35014981ChemSpider
HMDB0040627HMDB