Ceanothine E

Properties Image MNX_ID MNXM120347 reference chebi:176071 formula C34H40N4O4 global charge 0 mol weight 568.718 InChIKey KCFAADIKGBVBFW-VXPUYCOJSA-N InChI InChI=1S/C34H40N4O4/c1-23(2)21-28-32(39)35-20-19-24-15-17-27(18-16-24)42-31(26-13-9-6-10-14-26)30(34(41)36-28)37-33(40)29(38(3)4)22-25-11-7-5-8-12-25/h5-20,23,28-31H,21-22H2,1-4H3,(H,35,39)(H,36,41)(H,37,40)/b20-19- SMILES CC(C)CC1NC(=O)C(NC(=O)C(CC2=CC=CC=C2)N(C)C)C(C2=CC=CC=C2)OC2=CC=C(C=C2)/C=C\NC1=O MNX internals InChI (mnx) InChI=1/C34H40N4O4/c1-23(2)21-28-32(39)35-20-19-24-15-17-27(18-16-24)42-31(26-13-9-6-10-14-26)30(34(41)36-28)37-33(40)29(38(3)4)22-25-11-7-5-8-12-25/h5-20,23,28-31H,21-22H2,1-4H3,(H,35,39)(H,36,41)(H,37,40)/b20-19-/t28?,29?,30?,31? SMILES (mnx) [CH3:1][CH:23]([CH3:2])[CH2:21][CH:28]1/[C:32]([OH:39])=[N:35]\[CH:20]=[CH:19]/[C:24]2=[CH:16][CH:18]=[C:27]([CH:17]=[CH:15]2)[O:42][CH:31]([C:26]2=[CH:13][CH:9]=[CH:6][CH:10]=[CH:14]2)[CH:30]([N:37]=[C:33]([CH:29]([CH2:22][C:25]2=[CH:11][CH:7]=[CH:5][CH:8]=[CH:12]2)[N:38]([CH3:3])[CH3:4])[OH:40])[C:34]([OH:41])=[N:36]1

Parent-child relations graph

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