soyasaponin III
Chemical Formula:
C42H67O14
Molecular Weight:
795.983 Daltons
Monoisotopic Mass:
796.4609068922 Daltons
SMILES:
CC7(C)(CC(O)C6(C)([CH](C5(=CC[CH]4(C3(C)(CCC(OC2(OC(C([O-])=O)C(O)C(O)C(OC1(C(O)C(O)C(O)C(CO)O1))2))C(C)(CO)[CH]3CCC(C)4C(C)5CC6))))C7))
InChI:
1S/C42H68O14/c1-37(2)16-21-20-8-9-24-39(4)12-11-26(40(5,19-44)23(39)10-13-42(24,7)41(20,6)15-14-38(21,3)25(45)17-37)54-36-33(30(49)29(48)32(55-36)34(51)52)56-35-31(50)28(47)27(46)22(18-43)53-35/h8,21-33,35-36,43-50H,9-19H2,1-7H3,(H,51,52)/p-1/t21-,22+,23+,24+,25+,26-,27-,28-,29-,30-,31+,32-,33+,35-,36+,38+,39-,40+,41+,42+/m0/s1
InChIKey:
Synonyms
- (3β,4β,21α)-21,23-dihydroxyolean-12-en-3-yl (2-O-β-D-galactopyranosyl)-β-D-glucopyranosiduronate
Databases
MetaCyc:
CPD-13254
PubChem (CID):
53477656
ChEBI:
62911
Seed:
cpd21106
HMDB:
HMDB34651
MetaNetX:
MNXM2729
KEGG:
C19865