Citrusinine I

Properties Image MNX_ID MNXM120665 reference chebi:184245 formula C16H15NO5 global charge 0 mol weight 301.298 InChIKey UTEAJHNFBCLZHN-UHFFFAOYSA-N InChI InChI=1S/C16H15NO5/c1-17-13-8(5-4-6-9(13)18)15(20)12-10(19)7-11(21-2)16(22-3)14(12)17/h4-7,18-19H,1-3H3 SMILES COC1=C(OC)C2=C(C(=O)C3=C(C(O)=CC=C3)N2C)C(O)=C1 MNX internals InChI (mnx) InChI=1/C16H15NO5/c1-17-13-8(5-4-6-9(13)18)15(20)12-10(19)7-11(21-2)16(22-3)14(12)17/h4-7,18-19H,1-3H3 SMILES (mnx) [CH3:1][N:17]1[C:13]2=[C:8]([CH:5]=[CH:4][CH:6]=[C:9]2[OH:18])[C:15](=[O:20])[C:12]2=[C:10]([OH:19])[CH:7]=[C:11]([O:21][CH3:2])[C:16]([O:22][CH3:3])=[C:14]21

Parent-child relations graph

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