penipanoid B

Properties Image MNX_ID MNXM107633 reference chebi:68110 formula C16H13N3O2 global charge 0 mol weight 279.299 InChIKey SCCCIBBXTCKOTC-LSDHHAIUSA-N InChI InChI=1S/C16H13N3O2/c20-11-7-5-10(6-8-11)14-15-18-16(21)12-3-1-2-4-13(12)19(15)9-17-14/h1-9,14-15,20H,(H,18,21)/t14-,15+/m0/s1 SMILES O=C1N[C@H]2[C@H](C3=CC=C(O)C=C3)N=CN2C2=C1C=CC=C2 MNX internals InChI (mnx) InChI=1/C16H13N3O2/c20-11-7-5-10(6-8-11)14-15-18-16(21)12-3-1-2-4-13(12)19(15)9-17-14/h1-9,14-15,20H,(H,18,21)/t14-,15+/m0/s1 SMILES (mnx) [CH:1]1=[CH:2][CH:4]=[C:13]2[C:12](=[CH:3]1)[C:16]([OH:21])=[N:18][C@H:15]1[C@H:14]([C:10]3=[CH:6][CH:8]=[C:11]([OH:20])[CH:7]=[CH:5]3)[N:17]=[CH:9][N:19]21

Parent-child relations graph

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