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CHEBI:42710 - BETA-1,2,3,4,6-PENTA-O-GALLOYL-D-GLUCOPYRANOSE

Default Structure
ChEBI IDCHEBI:42710
ChEBI NameBETA-1,2,3,4,6-PENTA-O-GALLOYL-D-GLUCOPYRANOSE
Stars
DownloadsMolfile
FormulaC41H32O26
Net Charge0
Average Mass940.681
Monoisotopic Mass940.11818
SMILES[H]Oc1c([H])c(C(=O)OC([H])([H])[C@]2([H])O[C@@]([H])(OC(=O)c3c([H])c(O[H])c(O[H])c(O[H])c3[H])[C@@]([H])(OC(=O)c3c([H])c(O[H])c(O[H])c(O[H])c3[H])[C@@]([H])(OC(=O)c3c([H])c(O[H])c(O[H])c(O[H])c3[H])[C@]2([H])OC(=O)c2c([H])c(O[H])c(O[H])c(O[H])c2[H])c([H])c(O[H])c1O[H]
InChIInChI=1S/C41H32O26/c42-17-1-12(2-18(43)28(17)52)36(57)62-11-27-33(64-37(58)13-3-19(44)29(53)20(45)4-13)34(65-38(59)14-5-21(46)30(54)22(47)6-14)35(66-39(60)15-7-23(48)31(55)24(49)8-15)41(63-27)67-40(61)16-9-25(50)32(56)26(51)10-16/h1-10,27,33-35,41-56H,11H2/t27-,33+,34-,35-,41-/m0/s1
InChIKeyQJYNZEYHSMRWBK-CGKDMBANSA-N
ChEBI Ontology
Outgoing Relation(s)
BETA-1,2,3,4,6-PENTA-O-GALLOYL-D-GLUCOPYRANOSE (CHEBI:42710) is a unclassifieds (CHEBI:27189)
Synonyms  Source
1,2,3,4,6-pentakis-O-[(3,4,5-trihydroxyphenyl)carbonyl]-alpha-L-gulopyranosePDBeChem
BETA-1,2,3,4,6-PENTA-O-GALLOYL-D-GLUCOPYRANOSEPDBeChem
Manual XrefsDatabases
GGPPDBeChem