pseudomonate A

Properties Image MNX_ID MNXM680912 reference metacycM:CPD0-2581 formula C26H43O9 global charge -1 mol weight 499.621 InChIKey MINDHVHHQZYEEK-DLURDGGASA-M InChI InChI=1S/C26H44O9/c1-16(13-23(30)33-11-9-7-5-4-6-8-10-22(28)29)12-20-25(32)24(31)19(15-34-20)14-21-26(35-21)17(2)18(3)27/h13,17-21,24-27,31-32H,4-12,14-15H2,1-3H3,(H,28,29)/p-1/b16-13+/t17-,18-,19-,20-,21?,24+,25-,26?/m0/s1 SMILES C/C(=C\C(=O)OCCCCCCCCC(=O)[O-])C[C@@H]1OC[C@H](CC2OC2[C@@H](C)[C@H](C)O)[C@@H](O)[C@H]1O MNX internals InChI (mnx) InChI=1/C26H44O9/c1-16(13-23(30)33-11-9-7-5-4-6-8-10-22(28)29)12-20-25(32)24(31)19(15-34-20)14-21-26(35-21)17(2)18(3)27/h13,17-21,24-27,31-32H,4-12,14-15H2,1-3H3,(H,28,29)/b16-13+/t17-,18-,19-,20-,21?,24+,25-,26?/m0/s1 SMILES (mnx) [CH3:1]/[C:16]([CH2:12][C@H:20]1[C@H:25]([OH:32])[C@H:24]([OH:31])[C@@H:19]([CH2:14][CH:21]2[CH:26]([C@@H:17]([CH3:2])[C@H:18]([CH3:3])[OH:27])[O:35]2)[CH2:15][O:34]1)=[CH:13]\[C:23](=[O:30])[O:33][CH2:11][CH2:9][CH2:7][CH2:5][CH2:4][CH2:6][CH2:8][CH2:10][C:22](=[O:28])[OH:29]

Parent-child relations graph

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