Avenalumin II

Properties Image MNX_ID MNXM119540 reference hmdb:HMDB0038955 formula C17H13NO3 global charge 0 mol weight 279.295 InChIKey NODJLUIXDICTEH-KTKRTIGZSA-N InChI InChI=1S/C17H13NO3/c1-20-13-6-4-5-12(11-13)9-10-16-18-15-8-3-2-7-14(15)17(19)21-16/h2-11H,1H3/b10-9- SMILES COC1=CC=CC(/C=C\C2=NC3=CC=CC=C3C(=O)O2)=C1 MNX internals InChI (mnx) InChI=1/C17H13NO3/c1-20-13-6-4-5-12(11-13)9-10-16-18-15-8-3-2-7-14(15)17(19)21-16/h2-11H,1H3/b10-9- SMILES (mnx) [CH3:1][O:20][C:13]1=[CH:6][CH:4]=[CH:5][C:12](/[CH:9]=[CH:10]\[C:16]2=[N:18][C:15]3=[CH:8][CH:3]=[CH:2][CH:7]=[C:14]3[C:17](=[O:19])[O:21]2)=[CH:11]1

Parent-child relations graph

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