terpendole K

Properties Image MNX_ID MNXM109210 reference chebi:66210 formula C32H39NO5 global charge 0 mol weight 517.666 InChIKey LUGOSEHTWGECJM-KYKWBTGESA-N InChI InChI=1S/C32H39NO5/c1-17(2)15-23-36-24-26(28(3,4)37-23)35-22-12-13-29(5)30(6)18(11-14-31(29,34)32(22)27(24)38-32)16-20-19-9-7-8-10-21(19)33-25(20)30/h7-10,12,15,18,23-24,26-27,33-34H,11,13-14,16H2,1-6H3/t18-,23-,24+,26-,27+,29+,30+,31-,32-/m0/s1 SMILES CC(C)=C[C@H]1O[C@H]2[C@H]3O[C@@]34C(=CC[C@@]3(C)[C@@]4(O)CC[C@H]4CC5=C(NC6=C5C=CC=C6)[C@@]43C)O[C@@H]2C(C)(C)O1 MNX internals InChI (mnx) InChI=1/C32H39NO5/c1-17(2)15-23-36-24-26(28(3,4)37-23)35-22-12-13-29(5)30(6)18(11-14-31(29,34)32(22)27(24)38-32)16-20-19-9-7-8-10-21(19)33-25(20)30/h7-10,12,15,18,23-24,26-27,33-34H,11,13-14,16H2,1-6H3/t18-,23-,24+,26-,27+,29+,30+,31-,32-/m0/s1 SMILES (mnx) [CH3:1][C:17]([CH3:2])=[CH:15][C@H:23]1[O:36][C@@H:24]2[C@@H:26]([C:28]([CH3:3])([CH3:4])[O:37]1)[O:35][C:22]1=[CH:12][CH2:13][C@:29]3([CH3:5])[C@:30]4([CH3:6])[C@@H:18]([CH2:11][CH2:14][C@@:31]3([OH:34])[C@@:32]13[C@@H:27]2[O:38]3)[CH2:16][C:20]1=[C:25]4[NH:33][C:21]2=[CH:10][CH:8]=[CH:7][CH:9]=[C:19]12

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 0