soyasapogenol A 3-O-β-glucuronate
Chemical Formula:
C36H57O10
Molecular Weight:
649.84 Daltons
Monoisotopic Mass:
650.4029980828 Daltons
SMILES:
CC5(C(C(C4(CCC6(C1(C)([CH](C3([CH](CC1)C(CO)(C)C(OC2(C(O)C(O)C(O)C(C(=O)[O-])O2))CC3)C)CC=C([CH]4(C5))6))C)(C))O)O)(C)
InChI:
1S/C36H58O10/c1-31(2)16-19-18-8-9-21-33(4)12-11-22(45-30-25(40)23(38)24(39)26(46-30)29(43)44)34(5,17-37)20(33)10-13-36(21,7)35(18,6)15-14-32(19,3)28(42)27(31)41/h8,19-28,30,37-42H,9-17H2,1-7H3,(H,43,44)/p-1/t19-,20+,21+,22-,23-,24-,25+,26-,27-,28+,30+,32+,33-,34+,35+,36+/m0/s1
InChIKey:
Databases
MetaCyc:
CPD-15186
ChEBI:
62443
PubChem (CID):
53239766
MetaNetX:
MNXM7779