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CHEBI:196410 - Maclurin 3-C-(2''-galloyl-6''-p-hydroxybenzoyl-glucoside)

ChEBI IDCHEBI:196410
ChEBI NameMaclurin 3-C-(2''-galloyl-6''-p-hydroxybenzoyl-glucoside)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H28O17
Net Charge0
Average Mass696.570
Monoisotopic Mass696.13265
SMILESO=C(OCC1OC(c2c(O)cc(O)c(C(=O)c3ccc(O)c(O)c3)c2O)C(OC(=O)c2cc(O)c(O)c(O)c2)C(O)C1O)c1ccc(O)cc1
InChIInChI=1S/C33H28O17/c34-15-4-1-12(2-5-15)32(46)48-11-22-27(43)29(45)31(50-33(47)14-8-20(39)26(42)21(40)9-14)30(49-22)24-19(38)10-18(37)23(28(24)44)25(41)13-3-6-16(35)17(36)7-13/h1-10,22,27,29-31,34-40,42-45H,11H2
InChIKeyPOUWJMQLFDEGQD-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Maclurin 3-C-(2''-galloyl-6''-p-hydroxybenzoyl-glucoside) (CHEBI:196410) is a glycoside (CHEBI:24400)
IUPAC Name 
[2-[3-(3,4-dihydroxybenzoyl)-2,4,6-trihydroxyphenyl]-4,5-dihydroxy-6-[(4-hydroxybenzoyl)oxymethyl]oxan-3-yl] 3,4,5-trihydroxybenzoate
Manual XrefsDatabases
HMDB0034067HMDB
35013695ChemSpider