deoxylimonoate

Properties Image MNX_ID MNXM4566 reference chebi:58024 formula C26H31O8 global charge -1 mol weight 471.526 InChIKey NLNLACOJSWLNHE-DYNITIQCSA-M InChI InChI=1S/C26H32O8/c1-14-16(5-7-25(4)17(14)9-22(30)33-23(25)15-6-8-31-12-15)26-13-32-21(29)11-19(26)34-24(2,3)18(26)10-20(27)28/h6,8,12,16,18-19,23H,5,7,9-11,13H2,1-4H3,(H,27,28)/p-1/t16-,18-,19-,23-,25+,26+/m0/s1 SMILES CC1=C2CC(=O)O[C@@H](C3=COC=C3)[C@]2(C)CC[C@@H]1[C@@]12COC(=O)C[C@@H]1OC(C)(C)[C@@H]2CC(=O)[O-] MNX internals InChI (mnx) InChI=1/C26H32O8/c1-14-16(5-7-25(4)17(14)9-22(30)33-23(25)15-6-8-31-12-15)26-13-32-21(29)11-19(26)34-24(2,3)18(26)10-20(27)28/h6,8,12,16,18-19,23H,5,7,9-11,13H2,1-4H3,(H,27,28)/t16-,18-,19-,23-,25+,26+/m0/s1 SMILES (mnx) [CH3:1][C:14]1=[C:17]2[CH2:9][C:22](=[O:30])[O:33][C@@H:23]([C:15]3=[CH:12][O:31][CH:8]=[CH:6]3)[C@:25]2([CH3:4])[CH2:7][CH2:5][C@@H:16]1[C@@:26]12[CH2:13][O:32][C:21](=[O:29])[CH2:11][C@@H:19]1[O:34][C:24]([CH3:2])([CH3:3])[C@@H:18]2[CH2:10][C:20](=[O:27])[OH:28]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 0