(20S)-ginsenoside Rh2

Properties Image MNX_ID MNXM18064 reference chebi:77147 formula C36H62O8 global charge 0 mol weight 622.884 InChIKey CKUVNOCSBYYHIS-IRFFNABBSA-N InChI InChI=1S/C36H62O8/c1-20(2)10-9-14-36(8,42)21-11-16-35(7)27(21)22(38)18-25-33(5)15-13-26(32(3,4)24(33)12-17-34(25,35)6)44-31-30(41)29(40)28(39)23(19-37)43-31/h10,21-31,37-42H,9,11-19H2,1-8H3/t21-,22+,23+,24-,25+,26-,27-,28+,29-,30+,31-,33-,34+,35+,36-/m0/s1 SMILES CC(C)=CCC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(C)(C)[C@@H]3CC[C@]12C MNX internals InChI (mnx) InChI=1/C36H62O8/c1-20(2)10-9-14-36(8,42)21-11-16-35(7)27(21)22(38)18-25-33(5)15-13-26(32(3,4)24(33)12-17-34(25,35)6)44-31-30(41)29(40)28(39)23(19-37)43-31/h10,21-31,37-42H,9,11-19H2,1-8H3/t21-,22+,23+,24-,25+,26-,27-,28+,29-,30+,31-,33-,34+,35+,36-/m0/s1 SMILES (mnx) [CH3:1][C:20]([CH3:2])=[CH:10][CH2:9][CH2:14][C@@:36]([CH3:8])([C@H:21]1[CH2:11][CH2:16][C@:35]2([CH3:7])[C@@H:27]1[C@H:22]([OH:38])[CH2:18][C@@H:25]1[C@@:33]3([CH3:5])[CH2:15][CH2:13][C@H:26]([O:44][C@H:31]4[C@H:30]([OH:41])[C@@H:29]([OH:40])[C@H:28]([OH:39])[C@@H:23]([CH2:19][OH:37])[O:43]4)[C:32]([CH3:3])([CH3:4])[C@@H:24]3[CH2:12][CH2:17][C@:34]12[CH3:6])[OH:42]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 7 in models (compartimentalized) 0