bidebiline C

Properties Image MNX_ID MNXM103198 reference chebi:65492 formula C36H28N2O6 global charge 0 mol weight 584.628 InChIKey OJNKDUUHVWZPHM-UHFFFAOYSA-N InChI InChI=1S/C36H28N2O6/c1-39-21-7-3-5-19-27(21)31(33-25-17(9-11-37-33)13-23-35(29(19)25)43-15-41-23)32-28-20(6-4-8-22(28)40-2)30-26-18(10-12-38-34(26)32)14-24-36(30)44-16-42-24/h3-8,13-14,37-38H,9-12,15-16H2,1-2H3 SMILES COC1=CC=CC2=C1C(C1=C3NCCC4=CC5=C(OCO5)C(=C43)C3=CC=CC(OC)=C31)=C1NCCC3=CC4=C(OCO4)C2=C31 MNX internals InChI (mnx) InChI=1/C36H28N2O6/c1-39-21-7-3-5-19-27(21)31(33-25-17(9-11-37-33)13-23-35(29(19)25)43-15-41-23)32-28-20(6-4-8-22(28)40-2)30-26-18(10-12-38-34(26)32)14-24-36(30)44-16-42-24/h3-8,13-14,37-38H,9-12,15-16H2,1-2H3 SMILES (mnx) [CH3:1][O:39][C:21]1=[CH:7][CH:3]=[CH:5][C:19]2=[C:27]1[C:31]([C:32]1=[C:34]3[C:26]4=[C:30]([C:20]5=[C:28]1[C:22]([O:40][CH3:2])=[CH:8][CH:4]=[CH:6]5)[C:36]1=[C:24]([CH:14]=[C:18]4[CH2:10][CH2:12][NH:38]3)[O:42][CH2:16][O:44]1)=[C:33]1[C:25]3=[C:29]2[C:35]2=[C:23]([CH:13]=[C:17]3[CH2:9][CH2:11][NH:37]1)[O:41][CH2:15][O:43]2

Parent-child relations graph

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