ginsenoside Rg1
Chemical Formula:
C42H72O14
Molecular Weight:
801.022 Daltons
Monoisotopic Mass:
800.4922070206 Daltons
SMILES:
CC(=CCCC(C)(OC1(OC(CO)C(O)C(O)C(O)1))[CH]2([CH]4(C(C)(CC2)C5(C)(CC(OC3(C(O)C(O)C(O)C(CO)O3))[CH]6(C(C(O)CCC(C)([CH](CC(O)4)5)6)(C)C)))))C
InChI:
1S/C42H72O14/c1-20(2)10-9-13-42(8,56-37-34(52)32(50)30(48)25(19-44)55-37)21-11-15-40(6)28(21)22(45)16-26-39(5)14-12-27(46)38(3,4)35(39)23(17-41(26,40)7)53-36-33(51)31(49)29(47)24(18-43)54-36/h10,21-37,43-52H,9,11-19H2,1-8H3/t21-,22+,23-,24+,25+,26+,27-,28-,29+,30+,31-,32-,33+,34+,35-,36+,37-,39+,40+,41+,42-/m0/s1
InChIKey:
Databases
MetaCyc:
CPD-15445
KEGG:
C08946
PubChem (CID):
441923
MetaboLights:
MTBLC67987
ChEBI:
67987
Seed:
cpd05842
MetaNetX:
MNXM105363