Dukunolide A

Properties Image MNX_ID MNXM125127 reference chebi:172707 formula C26H26O9 global charge 0 mol weight 482.485 InChIKey BATTZJIKLZSIAU-UHFFFAOYSA-N InChI InChI=1S/C26H26O9/c1-21(2)20(29)24(30)10-12-6-5-8-22(3)14(12)15(18(27)33-16(22)13-7-9-32-11-13)25(24,31)23(4)26(21)17(34-26)19(28)35-23/h6-7,9,11,16-17,30-31H,5,8,10H2,1-4H3 SMILES CC12CCC=C3CC4(O)C(=O)C(C)(C)C56OC5C(=O)OC6(C)C4(O)C(=C31)C(=O)OC2C1=COC=C1 MNX internals InChI (mnx) InChI=1/C26H26O9/c1-21(2)20(29)24(30)10-12-6-5-8-22(3)14(12)15(18(27)33-16(22)13-7-9-32-11-13)25(24,31)23(4)26(21)17(34-26)19(28)35-23/h6-7,9,11,16-17,30-31H,5,8,10H2,1-4H3/t16?,17?,22?,23?,24?,25?,26? SMILES (mnx) [CH3:1][C:21]1([CH3:2])[C:20](=[O:29])[C:24]2([OH:30])[CH2:10][C:12]3=[CH:6][CH2:5][CH2:8][C:22]4([CH3:3])[C:14]3=[C:15]([C:18](=[O:27])[O:33][CH:16]4[C:13]3=[CH:11][O:32][CH:9]=[CH:7]3)[C:25]2([OH:31])[C:23]2([CH3:4])[C:26]13[CH:17]([C:19](=[O:28])[O:35]2)[O:34]3

Parent-child relations graph

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