compound 0209226

Properties Image MNX_ID MNXM1138635 reference envipathM:...11fddb500cf8 formula C26H41O7 global charge -1 mol weight 465.607 InChIKey ATVGYARYIOCRAB-UHFFFAOYSA-M InChI InChI=1S/C26H42O7/c1-5-15-17-11-14(27)6-8-24(17,3)20-19(29)12-25(4)16(13(2)10-18(28)23(31)32)7-9-26(25,33)21(20)22(15)30/h13-21,27-29,33H,5-12H2,1-4H3,(H,31,32)/p-1 SMILES CCC1C(=O)C2C(C(O)CC3(C)C(C(C)CC(O)C(=O)[O-])CCC23O)C2(C)CCC(O)CC12 MNX internals InChI (mnx) InChI=1/C26H42O7/c1-5-15-17-11-14(27)6-8-24(17,3)20-19(29)12-25(4)16(13(2)10-18(28)23(31)32)7-9-26(25,33)21(20)22(15)30/h13-21,27-29,33H,5-12H2,1-4H3,(H,31,32)/t13?,14?,15?,16?,17?,18?,19?,20?,21?,24?,25?,26? SMILES (mnx) [CH3:1][CH2:5][CH:15]1[CH:17]2[CH2:11][CH:14]([OH:27])[CH2:6][CH2:8][C:24]2([CH3:3])[CH:20]2[CH:19]([OH:29])[CH2:12][C:25]3([CH3:4])[CH:16]([CH:13]([CH3:2])[CH2:10][CH:18]([C:23](=[O:31])[OH:32])[OH:28])[CH2:7][CH2:9][C:26]3([OH:33])[CH:21]2[C:22]1=[O:30]

Parent-child relations graph

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