fumiquinazoline F-indoline-3'-ol

Properties Image MNX_ID MNXM148242 reference metacycM:CPD-17881 formula C21H19N4O3 global charge 1 mol weight 375.408 InChIKey RVQNOOJOTDDOBU-LKNMKHRSSA-O InChI InChI=1S/C21H18N4O3/c1-12-18-24-15-8-4-2-6-13(15)20(27)25(18)17(19(26)23-12)10-21(28)11-22-16-9-5-3-7-14(16)21/h2-9,11-12,17,28H,10H2,1H3,(H,23,26)/p+1/t12-,17+,21+/m0/s1 SMILES C[C@@H]1NC(=O)[C@@H](C[C@@]2(O)C=[NH+]C3=CC=CC=C32)N2C(=O)C3=CC=CC=C3N=C12 MNX internals InChI (mnx) InChI=1/C21H18N4O3/c1-12-18-24-15-8-4-2-6-13(15)20(27)25(18)17(19(26)23-12)10-21(28)11-22-16-9-5-3-7-14(16)21/h2-9,11-12,17,28H,10H2,1H3,(H,23,26)/t12-,17+,21+/m0/s1 SMILES (mnx) [CH3:1][C@H:12]1[C:18]2=[N:24][C:15]3=[CH:8][CH:4]=[CH:2][CH:6]=[C:13]3[C:20](=[O:27])[N:25]2[C@H:17]([CH2:10][C@@:21]2([OH:28])[CH:11]=[N:22][C:16]3=[CH:9][CH:5]=[CH:3][CH:7]=[C:14]32)[C:19]([OH:26])=[N:23]1

Parent-child relations graph

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