Avenalumin III

Properties Image MNX_ID MNXM119541 reference hmdb:HMDB0038956 formula C18H13NO3 global charge 0 mol weight 291.306 InChIKey ASJBOIQMTVOWBG-UJURIKRHSA-N InChI InChI=1S/C18H13NO3/c20-14-11-9-13(10-12-14)5-1-4-8-17-19-16-7-3-2-6-15(16)18(21)22-17/h1-12,20H/b5-1+,8-4- SMILES O=C1OC(/C=C\C=C\C2=CC=C(O)C=C2)=NC2=CC=CC=C12 MNX internals InChI (mnx) InChI=1/C18H13NO3/c20-14-11-9-13(10-12-14)5-1-4-8-17-19-16-7-3-2-6-15(16)18(21)22-17/h1-12,20H/b5-1+,8-4- SMILES (mnx) [CH:1](/[CH:4]=[CH:8]\[C:17]1=[N:19][C:16]2=[CH:7][CH:3]=[CH:2][CH:6]=[C:15]2[C:18](=[O:21])[O:22]1)=[CH:5]\[C:13]1=[CH:10][CH:12]=[C:14]([OH:20])[CH:11]=[CH:9]1

Parent-child relations graph

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