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

compound 0210116

Properties Image MNX_ID MNXM1364853 reference envipathM:...756f5df9a723 formula C23H22ClF3O7 global charge 0 mol weight 502.869 InChIKey XMQCBYXWUHQWAV-UHFFFAOYSA-N InChI InChI=1S/C23H22ClF3O7/c1-11-12(5-4-6-13(11)17-14(28)7-8-15(29)18(17)30)10-34-19(31)22(33)20(2,3)21(22,32)9-16(24)23(25,26)27/h4-9,28-30,32-33H,10H2,1-3H3 SMILES Cc1c(COC(=O)C2(O)C(C)(C)C2(O)C=C(Cl)C(F)(F)F)cccc1-c1c(O)ccc(O)c1O MNX internals InChI (mnx) InChI=1/C23H22ClF3O7/c1-11-12(5-4-6-13(11)17-14(28)7-8-15(29)18(17)30)10-34-19(31)22(33)20(2,3)21(22,32)9-16(24)23(25,26)27/h4-9,28-30,32-33H,10H2,1-3H3/b16-9?/t21?,22? SMILES (mnx) [CH3:1][c:2]1[c:3]([CH2:17][CH2:18][C:19](=[CH2:20])[C:21]2([OH:34])[C:22]([CH3:23])([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[c:9]([CH3:16])[cH:10][cH:11][c:12]([CH3:15])[c:13]1[CH3:14]

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:...756f5df9a723 envipathM:...756f5df9a723 XMQCBYXWUHQWAV-UHFFFAOYSA-N	compound 0210116