ginsenoside Re
Chemical Formula:
C48H82O18
Molecular Weight:
947.16 Daltons
Monoisotopic Mass:
946.5501158300001 Daltons
SMILES:
CC(C)=CCC[C@]([C@H]1([C@H]4([C@@](C)(CC1)[C@]5(C)(C[C@H](O[C@@H]3([C@H](O[C@@H]2([C@H](O)[C@H](O)[C@@H](O)[C@H](C)O2))[C@@H](O)[C@H](O)[C@@H](CO)O3))[C@@H]6(C([C@@H](O)CC[C@](C)([C@@H](C[C@@H](O)4)5)6)(C)C)))))(C)O[C@H]7(O[C@H](CO)[C@@H](O)[C@H](O)[C@@H](O)7)
InChI:
1S/C48H82O18/c1-21(2)11-10-14-48(9,66-42-38(60)35(57)32(54)26(19-49)63-42)23-12-16-46(7)30(23)24(51)17-28-45(6)15-13-29(52)44(4,5)40(45)25(18-47(28,46)8)62-43-39(36(58)33(55)27(20-50)64-43)65-41-37(59)34(56)31(53)22(3)61-41/h11,22-43,49-60H,10,12-20H2,1-9H3/t22-,23-,24+,25-,26+,27+,28+,29-,30-,31-,32+,33+,34+,35-,36-,37+,38+,39+,40-,41-,42-,43+,45+,46+,47+,48-/m0/s1
InChIKey:
Databases
ChEBI:
77148
KEGG:
C08944
MetaboLights:
MTBLC77148
PubChem (CID):
441921
MetaCyc:
CPD-15442
Seed:
cpd05840
MetaNetX:
MNXM54984