monoglucosyl-(2,3-dihydroxybenzoylserine)3

monoglucosyl-(2,3-dihydroxybenzoylserine)<sub>3</sub>




Chemical Formula:
C36H38N3O21
Molecular Weight:
848.704 Daltons
Monoisotopic Mass:
849.2076053316 Daltons
SMILES:
C(O)C4(OC(C1(C=C(O)C(O)=C(C=1)C(=O)NC(COC(=O)C(COC(=O)C(CO)NC(=O)C2(=CC=CC(O)=C(O)2))NC(=O)C3(=CC=CC(O)=C(O)3))C([O-])=O))C(O)C(O)C(O)4)
InChI:
1S/C36H39N3O21/c40-9-17(37-31(51)14-3-1-5-20(42)24(14)45)35(56)59-12-19(39-32(52)15-4-2-6-21(43)25(15)46)36(57)58-11-18(34(54)55)38-33(53)16-7-13(8-22(44)26(16)47)30-29(50)28(49)27(48)23(10-41)60-30/h1-8,17-19,23,27-30,40-50H,9-12H2,(H,37,51)(H,38,53)(H,39,52)(H,54,55)/p-1/t17-,18-,19-,23+,27+,28-,29+,30-/m0/s1
InChIKey:
BVNRZRVHEIZRPP-AEZKMRPASA-M

Synonyms
  • O-3-{O-3-[N-(2,3-dihydroxybenzoyl)-L-seryl]-N-(2,3-dihydroxybenzoyl)-L-seryl}-N-(2,3-dihydroxy-5-C-deoxyglucosyl-benzoyl)-L-serine

Databases
MetaCyc:  CPD-21583
ChEBI:  143023
PubChem (CID):  135397971