emindole-SB

Properties Image MNX_ID MNXM1100315 reference chebi:192683 formula C28H39NO global charge 0 mol weight 405.626 InChIKey XOLHQUYGSUGTQA-DFGZTGKASA-N InChI InChI=1S/C28H39NO/c1-18(2)9-8-15-26(3)23-13-12-19-17-21-20-10-6-7-11-22(20)29-25(21)28(19,5)27(23,4)16-14-24(26)30/h6-7,9-11,19,23-24,29-30H,8,12-17H2,1-5H3/t19-,23-,24-,26-,27-,28+/m0/s1 SMILES CC(C)=CCC[C@]1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@H]1CC3=C(NC4=CC=CC=C43)[C@@]12C MNX internals InChI (mnx) InChI=1/C28H39NO/c1-18(2)9-8-15-26(3)23-13-12-19-17-21-20-10-6-7-11-22(20)29-25(21)28(19,5)27(23,4)16-14-24(26)30/h6-7,9-11,19,23-24,29-30H,8,12-17H2,1-5H3/t19-,23-,24-,26-,27-,28+/m0/s1 SMILES (mnx) [CH3:1][C:18]([CH3:2])=[CH:9][CH2:8][CH2:15][C@@:26]1([CH3:3])[C@@H:23]2[CH2:13][CH2:12][C@H:19]3[CH2:17][C:21]4=[C:25]([C@:28]3([CH3:5])[C@@:27]2([CH3:4])[CH2:16][CH2:14][C@@H:24]1[OH:30])[NH:29][C:22]1=[CH:11][CH:7]=[CH:6][CH:10]=[C:20]41

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 0