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

3,4,5-trihydroxy-6-{[(1E)-5-oxo-1,7-diphenylhept-1-en-3-yl]oxy}oxane-2-carboxylic acid

Properties Image MNX_ID MNXM1378119 reference chebi:193194 formula C25H28O8 global charge 0 mol weight 456.491 InChIKey PEYXJMQMKHYQIR-WYMLVPIESA-N InChI InChI=1S/C25H28O8/c26-18(13-11-16-7-3-1-4-8-16)15-19(14-12-17-9-5-2-6-10-17)32-25-22(29)20(27)21(28)23(33-25)24(30)31/h1-10,12,14,19-23,25,27-29H,11,13,15H2,(H,30,31)/b14-12+ SMILES O=C(CCc1ccccc1)CC(/C=C/c1ccccc1)OC1OC(C(=O)O)C(O)C(O)C1O MNX internals InChI (mnx) InChI=1/C25H28O8/c26-18(13-11-16-7-3-1-4-8-16)15-19(14-12-17-9-5-2-6-10-17)32-25-22(29)20(27)21(28)23(33-25)24(30)31/h1-10,12,14,19-23,25,27-29H,11,13,15H2,(H,30,31)/b14-12+/t19?,20?,21?,22?,23?,25? SMILES (mnx) [cH:1]1[cH:3][cH:7][c:16]([CH2:11][CH2:13][C:18]([CH2:15][CH:19](/[CH:14]=[CH:12]/[c:17]2[cH:9][cH:5][cH:2][cH:6][cH:10]2)[O:32][CH:25]2[CH:22]([OH:29])[CH:20]([OH:27])[CH:21]([OH:28])[CH:23]([C:24]([OH:30])=[O:31])[O:33]2)=[O:26])[cH:8][cH:4]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
CHEBI:193194 chebi:193194 PEYXJMQMKHYQIR-WYMLVPIESA-N	3,4,5-trihydroxy-6-{[(1E)-5-oxo-1,7-diphenylhept-1-en-3-yl]oxy}oxane-2-carboxylic acid 3,4,5-trihydroxy-6-[(E)-5-oxo-1,7-diphenylhept-1-en-3-yl]oxyoxane-2-carboxylic acid