tryptoquialanol

Properties Image MNX_ID MNXM148525 reference metacycM:CPD-17888 formula C25H24N4O6 global charge 0 mol weight 476.489 InChIKey ONUMRICZJQKTGF-INNWXOGQSA-N InChI InChI=1S/C25H24N4O6/c1-13(30)19-26-16-10-6-4-8-14(16)20(31)27(19)18-12-25(35-21(18)32)15-9-5-7-11-17(15)28-22(25)29(34)24(2,3)23(28)33/h4-11,13,18,22,30,34H,12H2,1-3H3/t13-,18+,22-,25-/m0/s1 SMILES C[C@H](O)C1=NC2=C(C=CC=C2)C(=O)N1[C@@H]1C[C@]2(OC1=O)C1=C(C=CC=C1)N1C(=O)C(C)(C)N(O)[C@H]12 MNX internals InChI (mnx) InChI=1/C25H24N4O6/c1-13(30)19-26-16-10-6-4-8-14(16)20(31)27(19)18-12-25(35-21(18)32)15-9-5-7-11-17(15)28-22(25)29(34)24(2,3)23(28)33/h4-11,13,18,22,30,34H,12H2,1-3H3/t13-,18+,22-,25-/m0/s1 SMILES (mnx) [CH3:1][C@@H:13]([C:19]1=[N:26][C:16]2=[CH:10][CH:6]=[CH:4][CH:8]=[C:14]2[C:20](=[O:31])[N:27]1[C@@H:18]1[CH2:12][C@@:25]2([C:15]3=[CH:9][CH:5]=[CH:7][CH:11]=[C:17]3[N:28]3[C@H:22]2[N:29]([OH:34])[C:24]([CH3:2])([CH3:3])[C:23]3=[O:33])[O:35][C:21]1=[O:32])[OH:30]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 0