compound 0208679

Properties Image MNX_ID MNXM1196783 reference envipathM:...e066752438f0 formula C26H41O7 global charge -1 mol weight 465.607 InChIKey CWTFJCAQFDTWCD-UHFFFAOYSA-M InChI InChI=1S/C26H42O7/c1-5-16-21(30)20-17(22(2)10-6-15(27)14-26(16,22)33)7-11-23(3)18(8-13-25(20,23)32)24(4,31)12-9-19(28)29/h15-18,20,27,31-33H,5-14H2,1-4H3,(H,28,29)/p-1 SMILES CCC1C(=O)C2C(CCC3(C)C(C(C)(O)CCC(=O)[O-])CCC23O)C2(C)CCC(O)CC12O MNX internals InChI (mnx) InChI=1/C26H42O7/c1-5-16-21(30)20-17(22(2)10-6-15(27)14-26(16,22)33)7-11-23(3)18(8-13-25(20,23)32)24(4,31)12-9-19(28)29/h15-18,20,27,31-33H,5-14H2,1-4H3,(H,28,29)/t15?,16?,17?,18?,20?,22?,23?,24?,25?,26? SMILES (mnx) [CH3:1][CH2:5][CH:16]1[C:21](=[O:30])[CH:20]2[CH:17]([CH2:7][CH2:11][C:23]3([CH3:3])[CH:18]([C:24]([CH3:4])([CH2:12][CH2:9][C:19](=[O:28])[OH:29])[OH:31])[CH2:8][CH2:13][C:25]23[OH:32])[C:22]2([CH3:2])[CH2:10][CH2:6][CH:15]([OH:27])[CH2:14][C:26]12[OH:33]

Parent-child relations graph

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