**This is a beta version of MetaNetX/MNXref, MNXref identifiers may not be final**

compound 0210028

Properties Image MNX_ID MNXM1364693 reference envipathM:...df5b0119ad10 formula C23H22ClF3O6 global charge 0 mol weight 486.87 InChIKey JAZJVPZODIEUQW-UHFFFAOYSA-N InChI InChI=1S/C23H22ClF3O6/c1-12-14(4-3-5-15(12)13-6-7-16(29)17(30)8-13)10-33-20(31)19-21(2,11-28)22(19,32)9-18(24)23(25,26)27/h3-9,19,28-30,32H,10-11H2,1-2H3 SMILES Cc1c(COC(=O)C2C(O)(C=C(Cl)C(F)(F)F)C2(C)CO)cccc1-c1ccc(O)c(O)c1 MNX internals InChI (mnx) InChI=1/C23H22ClF3O6/c1-12-14(4-3-5-15(12)13-6-7-16(29)17(30)8-13)10-33-20(31)19-21(2,11-28)22(19,32)9-18(24)23(25,26)27/h3-9,19,28-30,32H,10-11H2,1-2H3/b18-9?/t19?,21?,22? SMILES (mnx) [CH3:1][c:2]1[c:3]([CH2:16][CH2:17][C:18](=[CH2:19])[CH:20]2[C:21]([CH3:22])([CH2:23][Cl:24])[F:25]2([F:26]=[F:27]([O:28]([OH:29])([OH:30])[OH:31])[OH:32])[OH:33])[cH:4][cH:5][cH:6][c:7]1-[c:8]1[cH:9][c:10]([CH3:15])[c:11]([CH3:14])[cH:12][cH:13]1

Parent-child relations graph

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

Similar chemical compounds in external resources

Identifier	Description
envipath:...df5b0119ad10 envipathM:...df5b0119ad10 JAZJVPZODIEUQW-UHFFFAOYSA-N	compound 0210028