triglucosyl-(2,3-dihydroxybenzoylserine)3
Chemical Formula:
C48H58N3O31
Molecular Weight:
1172.988 Daltons
Monoisotopic Mass:
1173.3132521946 Daltons
SMILES:
C(O)C6(OC(C1(C=C(O)C(O)=C(C=1)C(=O)NC(CO)C(OCC(NC(=O)C3(=CC(C2(OC(CO)C(O)C(O)C(O)2))=CC(O)=C(O)3))C(OCC(NC(=O)C5(=CC(C4(OC(CO)C(O)C(O)C(O)4))=CC(O)=C(O)5))C([O-])=O)=O)=O))C(O)C(O)C(O)6)
InChI:
1S/C48H59N3O31/c52-7-19(49-43(71)16-1-13(4-22(56)28(16)59)40-37(68)34(65)31(62)25(8-53)80-40)47(76)79-12-21(51-45(73)18-3-15(6-24(58)30(18)61)42-39(70)36(67)33(64)27(10-55)82-42)48(77)78-11-20(46(74)75)50-44(72)17-2-14(5-23(57)29(17)60)41-38(69)35(66)32(63)26(9-54)81-41/h1-6,19-21,25-27,31-42,52-70H,7-12H2,(H,49,71)(H,50,72)(H,51,73)(H,74,75)/p-1/t19-,20-,21-,25+,26+,27+,31+,32+,33+,34-,35-,36-,37+,38+,39+,40-,41-,42-/m0/s1
InChIKey:
Databases
MetaCyc:
CPD-21588
ChEBI:
143021
PubChem (CID):
135398090