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

compound 0209835

Properties Image MNX_ID MNXM1364981 reference envipathM:...767a44f4d9b7 formula C23H23F3O5 global charge 0 mol weight 436.426 InChIKey DVBQRHPGODZLMB-UHFFFAOYSA-N InChI InChI=1S/C23H23F3O5/c1-13-15(5-4-6-16(13)14-7-8-17(27)18(28)11-14)12-31-20(29)23(30)19(21(23,2)3)9-10-22(24,25)26/h4-11,19,27-28,30H,12H2,1-3H3 SMILES Cc1c(COC(=O)C2(O)C(C=CC(F)(F)F)C2(C)C)cccc1-c1ccc(O)c(O)c1 MNX internals InChI (mnx) InChI=1/C23H23F3O5/c1-13-15(5-4-6-16(13)14-7-8-17(27)18(28)11-14)12-31-20(29)23(30)19(21(23,2)3)9-10-22(24,25)26/h4-11,19,27-28,30H,12H2,1-3H3/b10-9?/t19?,23? SMILES (mnx) [CH3:1][c:2]1[c:3]([CH2:16][CH2:17][C:18](=[CH2:19])[C:20]2([OH:31])[CH:21]([CH:22]=[CH:23][F:24]([F:25])([F:26])[OH:27])[O:28]2([OH:29])[OH:30])[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:...767a44f4d9b7 envipathM:...767a44f4d9b7 DVBQRHPGODZLMB-UHFFFAOYSA-N	compound 0209835