bidebiline D

Properties Image MNX_ID MNXM103199 reference chebi:65493 formula C36H28N2O6 global charge 0 mol weight 584.628 InChIKey HXKKJKCNOAUCEJ-UHFFFAOYSA-N InChI InChI=1S/C36H28N2O6/c1-39-19-3-5-21-23(13-19)31-27-17(11-25-35(31)43-15-41-25)7-9-37-33(27)29(21)30-22-6-4-20(40-2)14-24(22)32-28-18(8-10-38-34(28)30)12-26-36(32)44-16-42-26/h3-6,11-14,37-38H,7-10,15-16H2,1-2H3 SMILES COC1=CC=C2C(=C1)C1=C3C(=CC4=C1OCO4)CCNC3=C2C1=C2NCCC3=CC4=C(OCO4)C(=C32)C2=C1C=CC(OC)=C2 MNX internals InChI (mnx) InChI=1/C36H28N2O6/c1-39-19-3-5-21-23(13-19)31-27-17(11-25-35(31)43-15-41-25)7-9-37-33(27)29(21)30-22-6-4-20(40-2)14-24(22)32-28-18(8-10-38-34(28)30)12-26-36(32)44-16-42-26/h3-6,11-14,37-38H,7-10,15-16H2,1-2H3 SMILES (mnx) [CH3:1][O:39][C:19]1=[CH:13][C:23]2=[C:21]([CH:5]=[CH:3]1)[C:29]([C:30]1=[C:34]3[C:28]4=[C:32]([C:24]5=[C:22]1[CH:6]=[CH:4][C:20]([O:40][CH3:2])=[CH:14]5)[C:36]1=[C:26]([CH:12]=[C:18]4[CH2:8][CH2:10][NH:38]3)[O:42][CH2:16][O:44]1)=[C:33]1[C:27]3=[C:31]2[C:35]2=[C:25]([CH:11]=[C:17]3[CH2:7][CH2:9][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