2,4-O-digalloyl-1,3,6-tri-O-β-D-galloylglucose
Chemical Formula:
C55H40O34
Molecular Weight:
1244.901 Daltons
Monoisotopic Mass:
1244.1400984354 Daltons
SMILES:
C(OC(C1(=CC(O)=C(O)C(O)=C1))=O)C7(OC(C(OC(C3(=CC(O)=C(O)C(OC(C2(C=C(O)C(O)=C(O)C=2))=O)=C3))=O)C(OC(=O)C4(C=C(O)C(O)=C(O)C=4))C(OC(=O)C6(=CC(OC(C5(C=C(O)C(O)=C(O)C=5))=O)=C(O)C(O)=C6))7)OC(C8(C=C(O)C(O)=C(O)C=8))=O)
InChI:
1S/C55H40O34/c56-23-1-16(2-24(57)38(23)68)48(75)82-15-37-45(86-52(79)21-11-33(66)43(73)35(13-21)83-49(76)17-3-25(58)39(69)26(59)4-17)46(87-51(78)19-7-29(62)41(71)30(63)8-19)47(55(85-37)89-54(81)20-9-31(64)42(72)32(65)10-20)88-53(80)22-12-34(67)44(74)36(14-22)84-50(77)18-5-27(60)40(70)28(61)6-18/h1-14,37,45-47,55-74H,15H2/t37-,45-,46+,47-,55+/m1/s1
InChIKey:
Databases
MetaCyc:
CPD-8956
PubChem (CID):
25201350
Seed:
cpd25511
MetaNetX:
MNXM9767