cystodytin E

Properties Image MNX_ID MNXM104197 reference chebi:65711 formula C22H19N3O3 global charge 0 mol weight 373.412 InChIKey KRUWAHKXRDZFIJ-KGVSQERTSA-N InChI InChI=1S/C22H19N3O3/c1-3-12(2)22(28)24-11-18(27)15-10-17(26)21-19-14(8-9-23-21)13-6-4-5-7-16(13)25-20(15)19/h3-10,18,27H,11H2,1-2H3,(H,24,28)/b12-3+ SMILES C/C=C(\C)C(=O)NCC(O)C1=CC(=O)C2=NC=CC3=C4C=CC=CC4=NC1=C23 MNX internals InChI (mnx) InChI=1/C22H19N3O3/c1-3-12(2)22(28)24-11-18(27)15-10-17(26)21-19-14(8-9-23-21)13-6-4-5-7-16(13)25-20(15)19/h3-10,18,27H,11H2,1-2H3,(H,24,28)/b12-3+/t18? SMILES (mnx) [CH3:1]/[CH:3]=[C:12]([CH3:2])/[C:22](=[N:24]/[CH2:11][CH:18]([C:15]1=[CH:10][C:17](=[O:26])[C:21]2=[C:19]3[C:14](=[CH:8][CH:9]=[N:23]2)[C:13]2=[CH:6][CH:4]=[CH:5][CH:7]=[C:16]2[N:25]=[C:20]13)[OH:27])[OH:28]

Parent-child relations graph

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