ginsenoside Ro
Chemical Formula:
C48H75O19
Molecular Weight:
956.109 Daltons
Monoisotopic Mass:
956.4980802595001 Daltons
SMILES:
CC7(C)(CCC8(C(=O)OC1(C(C(C(C(CO)O1)O)O)O))(CCC2(C)(C(=CC[CH]3(C4(C)(CCC(C(C)(C)[CH](CCC(C)23)4)OC5(C(C(C(C(C(=O)[O-])O5)O)O)OC6(C(C(C(C(CO)O6)O)O)O)))))[CH](C7)8)))
InChI:
1S/C48H76O19/c1-43(2)14-16-48(42(61)67-40-35(58)31(54)29(52)24(20-50)63-40)17-15-46(6)21(22(48)18-43)8-9-26-45(5)12-11-27(44(3,4)25(45)10-13-47(26,46)7)64-41-37(33(56)32(55)36(65-41)38(59)60)66-39-34(57)30(53)28(51)23(19-49)62-39/h8,22-37,39-41,49-58H,9-20H2,1-7H3,(H,59,60)/p-1/t22-,23+,24+,25-,26+,27-,28+,29+,30-,31-,32-,33-,34+,35+,36-,37+,39-,40-,41+,45-,46+,47+,48-/m0/s1
InChIKey:
Databases
MetaCyc:
CPD-15576
PubChem (CID):
90658792
ChemSpider:
9990149
Seed:
cpd17668
HMDB:
HMDB34534
ChEBI:
67981
MetaNetX:
MNXM103742
KEGG:
C17543