deoxylimononate D-ring-lactone

Properties Image MNX_ID MNXM4567 reference chebi:57516 formula C26H32O9 global charge -2 mol weight 488.533 InChIKey BQKCYOXFBVKBDA-DYNITIQCSA-L InChI InChI=1S/C26H34O9/c1-14-16(5-7-25(4)17(14)9-22(32)34-23(25)15-6-8-33-12-15)26(13-27)18(10-20(28)29)24(2,3)35-19(26)11-21(30)31/h6,8,12,16,18-19,23,27H,5,7,9-11,13H2,1-4H3,(H,28,29)(H,30,31)/p-2/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@@]1(CO)[C@H](CC(=O)[O-])OC(C)(C)[C@@H]1CC(=O)[O-] MNX internals InChI (mnx) InChI=1/C26H34O9/c1-14-16(5-7-25(4)17(14)9-22(32)34-23(25)15-6-8-33-12-15)26(13-27)18(10-20(28)29)24(2,3)35-19(26)11-21(30)31/h6,8,12,16,18-19,23,27H,5,7,9-11,13H2,1-4H3,(H,28,29)(H,30,31)/t16-,18-,19-,23-,25+,26+/m0/s1 SMILES (mnx) [CH3:1][C:14]1=[C:17]2[CH2:9][C:22](=[O:32])[O:34][C@@H:23]([C:15]3=[CH:12][O:33][CH:8]=[CH:6]3)[C@:25]2([CH3:4])[CH2:7][CH2:5][C@@H:16]1[C@:26]1([CH2:13][OH:27])[C@@H:18]([CH2:10][C:20](=[O:28])[OH:29])[C:24]([CH3:2])([CH3:3])[O:35][C@H:19]1[CH2:11][C:21](=[O:30])[OH:31]

Parent-child relations graph

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