cystodytin D

Properties Image MNX_ID MNXM104196 reference chebi:65710 formula C22H19N3O3 global charge 0 mol weight 373.412 InChIKey ANJZOYDQOAVRCX-UHFFFAOYSA-N InChI InChI=1S/C22H19N3O3/c1-12(2)9-19(28)24-11-18(27)15-10-17(26)22-20-14(7-8-23-22)13-5-3-4-6-16(13)25-21(15)20/h3-10,18,27H,11H2,1-2H3,(H,24,28) SMILES CC(C)=CC(=O)NCC(O)C1=CC(=O)C2=NC=CC3=C4C=CC=CC4=NC1=C23 MNX internals InChI (mnx) InChI=1/C22H19N3O3/c1-12(2)9-19(28)24-11-18(27)15-10-17(26)22-20-14(7-8-23-22)13-5-3-4-6-16(13)25-21(15)20/h3-10,18,27H,11H2,1-2H3,(H,24,28)/t18? SMILES (mnx) [CH3:1][C:12]([CH3:2])=[CH:9][C:19](=[N:24][CH2:11][CH:18]([C:15]1=[CH:10][C:17](=[O:26])[C:22]2=[C:20]3[C:14](=[CH:7][CH:8]=[N:23]2)[C:13]2=[CH:5][CH:3]=[CH:4][CH:6]=[C:16]2[N:25]=[C:21]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