compound 0208882

Properties Image MNX_ID MNXM1189637 reference envipathM:...8496674efeda formula C26H41O7 global charge -1 mol weight 465.607 InChIKey BFBHXMFNZSDDNW-UHFFFAOYSA-M InChI InChI=1S/C26H42O7/c1-5-15-17-13-21(30)33-11-10-24(17,3)16-8-9-25(4)18(22(16)23(15)31)12-19(27)26(25,32)14(2)6-7-20(28)29/h14-19,22-23,27,31-32H,5-13H2,1-4H3,(H,28,29)/p-1 SMILES CCC1C(O)C2C(CCC3(C)C2CC(O)C3(O)C(C)CCC(=O)[O-])C2(C)CCOC(=O)CC12 MNX internals InChI (mnx) InChI=1/C26H42O7/c1-5-15-17-13-21(30)33-11-10-24(17,3)16-8-9-25(4)18(22(16)23(15)31)12-19(27)26(25,32)14(2)6-7-20(28)29/h14-19,22-23,27,31-32H,5-13H2,1-4H3,(H,28,29)/t14?,15?,16?,17?,18?,19?,22?,23?,24?,25?,26? SMILES (mnx) [CH3:1][CH2:5][CH:15]1[CH:17]2[CH2:13][C:21](=[O:30])[O:33][CH2:11][CH2:10][C:24]2([CH3:3])[CH:16]2[CH2:8][CH2:9][C:25]3([CH3:4])[CH:18]([CH2:12][CH:19]([OH:27])[C:26]3([CH:14]([CH3:2])[CH2:6][CH2:7][C:20](=[O:28])[OH:29])[OH:32])[CH:22]2[CH:23]1[OH:31]

Parent-child relations graph

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