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Digalloyl-tetrahhdp-diglucose

C82H54O52 1871.3 g/mol
O H O O O H O H O O H O H O H O O O H O H O H
Name Digalloyl-tetrahhdp-diglucose
Alternative name Digalloylglucose
Formula C82H54O52
Formula Weight 1871.30 g/mol
Molecular Weight 1871.30 g/mol
Monoisotopic Mass 1870.160000 g/mol
InChI Key BZAFROBDXRJYTQ-JVEQELPQSA-N
IUPAC [(1R,2S,19R,20R,22R)-7,8,9,12,13,14,28,29,30,33,34,35-dodecahydroxy-4,17,25,38-tetraoxo-3,18,21,24,39-pentaoxaheptacyclo[20.17.0.02,19.05,10.011,16.026,31.032,37]nonatriaconta-5,7,9,11,13,15,26,28,30,32,34,36-dodecaen-20-yl] 2-[5-[[(1R,2S,19R,20R,22R)-7,8,9,12,13,14,28,29,30,33,34,35-dodecahydroxy-4,17,25,38-tetraoxo-3,18,21,24,39-pentaoxaheptacyclo[20.17.0.02,19.05,10.011,16.026,31.032,37]nonatriaconta-5,7,9,11,13,15,26,28,30,32,34,36-dodecaen-20-yl]oxycarbonyl]-2,3-dihydroxyphenoxy]-3,4,5-trihydroxybenzoate
InChI InChI=1S/C20H20O14/c21-8-1-6(2-9(22)13(8)25)18(29)32-5-12-15(27)16(28)17(20(31)33-12)34-19(30)7-3-10(23)14(26)11(24)4-7/h1-4,12,15-17,20-28,31H,5H2
SMILES OC1OC(COC(=O)C2=CC(O)=C(O)C(O)=C2)C(O)C(O)C1OC(=O)C1=CC(O)=C(O)C(O)=C1
Food Berry
Food Source Strawberry
Family Phenolic
Class Tannin
Subclass Group Hydrolizable tannin
Subclass Gallotannin
Metabolite Valerolactone metabolite
CASNO No CAS
HMDB HMDB0039181
PubChem 16129621
KEGG C03582
FooDB FDB018709
DrugBank DB02709
ChEBI 229567
BioCyc CPD-83
METLIN 7044.0