3-O-digalloyl-1,2,4,6-tetra-O-β-D-galloylglucose
Chemical Formula:
C48H36O30
Molecular Weight:
1092.794 Daltons
Monoisotopic Mass:
1092.1291398186 Daltons
SMILES:
C(OC(C1(=CC(O)=C(O)C(O)=C1))=O)C6(OC(C(OC(C2(C=C(O)C(O)=C(O)C=2))=O)C(OC(=O)C4(C=C(OC(C3(C=C(O)C(O)=C(O)C=3))=O)C(O)=C(O)C=4))C(OC(=O)C5(=CC(O)=C(O)C(O)=C5))6)OC(C7(C=C(O)C(O)=C(O)C=7))=O)
InChI:
1S/C48H36O30/c49-20-1-14(2-21(50)33(20)60)42(66)72-13-32-39(75-44(68)16-5-24(53)35(62)25(54)6-16)40(76-46(70)19-11-30(59)38(65)31(12-19)73-43(67)15-3-22(51)34(61)23(52)4-15)41(77-45(69)17-7-26(55)36(63)27(56)8-17)48(74-32)78-47(71)18-9-28(57)37(64)29(58)10-18/h1-12,32,39-41,48-65H,13H2/t32-,39-,40+,41-,48+/m1/s1
InChIKey:
Databases
MetaCyc:
CPD-8954
PubChem (CID):
16164119
Seed:
cpd25509
MetaNetX:
MNXM10072