samaderine C

Properties Image MNX_ID MNXM108682 reference chebi:66160 formula C19H24O7 global charge 0 mol weight 364.394 InChIKey PDGZDUYWUXJXRO-ANPVQLFHSA-N InChI InChI=1S/C19H24O7/c1-7-4-9(20)14(23)17(2)8(7)5-10(21)19-6-25-18(3)13(19)16(24)26-15(18)11(22)12(17)19/h4,8-9,11-15,20,22-23H,5-6H2,1-3H3/t8-,9-,11+,12+,13-,14+,15-,17-,18-,19+/m0/s1 SMILES CC1=C[C@H](O)[C@@H](O)[C@@]2(C)[C@H]1CC(=O)[C@@]13CO[C@]4(C)[C@@H](OC(=O)[C@@H]41)[C@H](O)[C@@H]32 MNX internals InChI (mnx) InChI=1/C19H24O7/c1-7-4-9(20)14(23)17(2)8(7)5-10(21)19-6-25-18(3)13(19)16(24)26-15(18)11(22)12(17)19/h4,8-9,11-15,20,22-23H,5-6H2,1-3H3/t8-,9-,11+,12+,13-,14+,15-,17-,18-,19+/m0/s1 SMILES (mnx) [CH3:1][C:7]1=[CH:4][C@H:9]([OH:20])[C@@H:14]([OH:23])[C@@:17]2([CH3:2])[C@H:8]1[CH2:5][C:10](=[O:21])[C@@:19]13[CH2:6][O:25][C@@:18]4([CH3:3])[C@@H:13]1[C:16](=[O:24])[O:26][C@H:15]4[C@H:11]([OH:22])[C@H:12]23

Parent-child relations graph

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