compound 0208979

Properties Image MNX_ID MNXM1185687 reference envipathM:...6c84b53fa2d8 formula C26H41O7 global charge -1 mol weight 465.607 InChIKey PSFGNCVYAPEWCQ-UHFFFAOYSA-M InChI InChI=1S/C26H42O7/c1-4-16-18-11-15(28)7-9-24(18,2)22-19(29)12-25(3)17(21(22)23(16)32)8-10-26(25,33)14(13-27)5-6-20(30)31/h14-18,21-23,27-28,32-33H,4-13H2,1-3H3,(H,30,31)/p-1 SMILES CCC1C(O)C2C(C(=O)CC3(C)C2CCC3(O)C(CO)CCC(=O)[O-])C2(C)CCC(O)CC12 MNX internals InChI (mnx) InChI=1/C26H42O7/c1-4-16-18-11-15(28)7-9-24(18,2)22-19(29)12-25(3)17(21(22)23(16)32)8-10-26(25,33)14(13-27)5-6-20(30)31/h14-18,21-23,27-28,32-33H,4-13H2,1-3H3,(H,30,31)/t14?,15?,16?,17?,18?,21?,22?,23?,24?,25?,26? SMILES (mnx) [CH3:1][CH2:4][CH:16]1[CH:18]2[CH2:11][CH:15]([OH:28])[CH2:7][CH2:9][C:24]2([CH3:2])[CH:22]2[C:19](=[O:29])[CH2:12][C:25]3([CH3:3])[CH:17]([CH2:8][CH2:10][C:26]3([CH:14]([CH2:5][CH2:6][C:20](=[O:30])[OH:31])[CH2:13][OH:27])[OH:33])[CH:21]2[CH:23]1[OH:32]

Parent-child relations graph

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