6a,7-didehydro-1,9,10-trihydroxy-2-methoxy-6-methylaporphinium trifluoroacetate

Properties Image MNX_ID MNXM102123 reference chebi:68904 formula C21H20F3NO6 global charge 0 mol weight 439.386 InChIKey SBKNQDPIZMRYQD-UHFFFAOYSA-N InChI InChI=1S/C19H19NO4.C2HF3O2/c1-20(2)5-4-10-8-16(24-3)19(23)18-12-9-15(22)14(21)7-11(12)6-13(20)17(10)18;3-2(4,5)1(6)7/h6-9H,4-5H2,1-3H3,(H2-,21,22,23);(H,6,7) SMILES COC1=C(O)C2=C3C=C(O)C(O)=CC3=CC3=C2C(=C1)CC[N+]3(C)C.O=C([O-])C(F)(F)F MNX internals InChI (mnx) InChI=1/C19H19NO4.C2HF3O2/c1-20(2)5-4-10-8-16(24-3)19(23)18-12-9-15(22)14(21)7-11(12)6-13(20)17(10)18;3-2(4,5)1(6)7/h6-9H,4-5H2,1-3H3,(H2-,21,22,23);(H,6,7) SMILES (mnx) [C:25]([C:26]([F:27])([F:28])[F:29])(=[O:30])[OH:31].[CH3:1][N+:20]1([CH3:2])[CH2:5][CH2:4][C:10]2=[CH:8][C:16]([O:24][CH3:3])=[C:19]([O-:23])[C:18]3=[C:12]4[CH:9]=[C:15]([OH:22])[C:14]([OH:21])=[CH:7][C:11]4=[CH:6][C:13]1=[C:17]23

Parent-child relations graph

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