soyasapogenol E 3-O-β-glucuronate
Chemical Formula:
C36H55O9
Molecular Weight:
631.825 Daltons
Monoisotopic Mass:
632.3924333965 Daltons
SMILES:
CC4(C)(C[CH]3(C2(=CC[CH]1(C6(C)([CH](CCC(C)1C(C)2CCC(C)3C(=O)C4)C(C)(CO)C(OC5(OC(C(=O)[O-])C(O)C(O)C(O)5))CC6)))))
InChI:
1S/C36H56O9/c1-31(2)16-20-19-8-9-22-33(4)12-11-24(44-30-27(41)25(39)26(40)28(45-30)29(42)43)34(5,18-37)21(33)10-13-36(22,7)35(19,6)15-14-32(20,3)23(38)17-31/h8,20-22,24-28,30,37,39-41H,9-18H2,1-7H3,(H,42,43)/p-1/t20-,21+,22+,24-,25-,26-,27+,28-,30+,32+,33-,34+,35+,36+/m0/s1
InChIKey:
Databases
MetaCyc:
CPD-15187
ChEBI:
62446
PubChem (CID):
53239768
MetaNetX:
MNXM7780