antrafenine

Properties Image MNX_ID MNXM119240 reference chebi:135841 formula C30H26F6N4O2 global charge 0 mol weight 588.552 InChIKey NWGGKKGAFZIVBJ-UHFFFAOYSA-N InChI InChI=1S/C30H26F6N4O2/c31-29(32,33)20-4-3-5-22(18-20)40-14-12-39(13-15-40)16-17-42-28(41)24-6-1-2-7-25(24)38-26-10-11-37-27-19-21(30(34,35)36)8-9-23(26)27/h1-11,18-19H,12-17H2,(H,37,38) SMILES O=C(OCCN1CCN(C2=CC(C(F)(F)F)=CC=C2)CC1)C1=CC=CC=C1NC1=CC=NC2=C1C=CC(C(F)(F)F)=C2 MNX internals InChI (mnx) InChI=1/C30H26F6N4O2/c31-29(32,33)20-4-3-5-22(18-20)40-14-12-39(13-15-40)16-17-42-28(41)24-6-1-2-7-25(24)38-26-10-11-37-27-19-21(30(34,35)36)8-9-23(26)27/h1-11,18-19H,12-17H2,(H,37,38) SMILES (mnx) [CH:1]1=[CH:2][CH:7]=[C:25]([NH:38][C:26]2=[C:23]3[CH:9]=[CH:8][C:21]([C:30]([F:34])([F:35])[F:36])=[CH:19][C:27]3=[N:37][CH:11]=[CH:10]2)[C:24]([C:28](=[O:41])[O:42][CH2:17][CH2:16][N:39]2[CH2:12][CH2:14][N:40]([C:22]3=[CH:5][CH:3]=[CH:4][C:20]([C:29]([F:31])([F:32])[F:33])=[CH:18]3)[CH2:15][CH2:13]2)=[CH:6]1

Parent-child relations graph

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