samandarine

Properties Image MNX_ID MNXM81451 reference chebi:36324 formula C19H31NO2 global charge 0 mol weight 305.462 InChIKey HJCSQOSWSRPBOU-XTXNWKRWSA-N InChI InChI=1S/C19H31NO2/c1-18-6-5-14-13(15(18)8-12(21)9-18)4-3-11-7-17-20-10-16(22-17)19(11,14)2/h11-17,20-21H,3-10H2,1-2H3/t11-,12+,13-,14+,15+,16+,17+,18-,19+/m1/s1 SMILES C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@H]5NC[C@H](O5)[C@@]43C)[C@@H]1C[C@H](O)C2 MNX internals InChI (mnx) InChI=1/C19H31NO2/c1-18-6-5-14-13(15(18)8-12(21)9-18)4-3-11-7-17-20-10-16(22-17)19(11,14)2/h11-17,20-21H,3-10H2,1-2H3/t11-,12+,13-,14+,15+,16+,17+,18-,19+/m1/s1 SMILES (mnx) [CH3:1][C@:18]12[CH2:6][CH2:5][C@H:14]3[C@@H:13]([CH2:4][CH2:3][C@@H:11]4[CH2:7][C@H:17]5[NH:20][CH2:10][C@@H:16]([C@@:19]43[CH3:2])[O:22]5)[C@@H:15]1[CH2:8][C@H:12]([OH:21])[CH2:9]2

Parent-child relations graph

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