an unsaturated pectate trisaccharide
Chemical Formula:
C18H21O18
Molecular Weight:
525.353 Daltons
Monoisotopic Mass:
528.0962639682 Daltons
SMILES:
C1(=C(C([O-])=O)OC(C(C1O)O)OC3(C(C(=O)[O-])OC(OC2(C(C(=O)[O-])OC(O)C(C2O)O))C(C3O)O))
InChI:
1S/C18H24O18/c19-2-1-3(13(25)26)32-17(4(2)20)34-10-6(22)8(24)18(36-12(10)15(29)30)35-9-5(21)7(23)16(31)33-11(9)14(27)28/h1-2,4-12,16-24,31H,(H,25,26)(H,27,28)(H,29,30)/p-3/t2-,4+,5+,6+,7+,8+,9+,10+,11-,12-,16-,17+,18-/m0/s1
InChIKey:
Databases
MetaCyc:
CPD-17706
PubChem (CID):
91819924
MetaNetX:
MNXM22175