compound 0209400

Properties Image MNX_ID MNXM1172582 reference envipathM:...59ccecbb0ad4 formula C26H39O6 global charge -1 mol weight 447.592 InChIKey HAFGZNJICKFLNV-UHFFFAOYSA-M InChI InChI=1S/C26H40O6/c1-15(4-7-22(29)30)18-5-6-20-24(18,2)12-9-21-25(3)11-8-16(28)14-19(25)17(10-13-27)23(31)26(20,21)32/h13,15,17-21,23,31-32H,4-12,14H2,1-3H3,(H,29,30)/p-1 SMILES CC(CCC(=O)[O-])C1CCC2C1(C)CCC1C3(C)CCC(=O)CC3C(CC=O)C(O)C21O MNX internals InChI (mnx) InChI=1/C26H40O6/c1-15(4-7-22(29)30)18-5-6-20-24(18,2)12-9-21-25(3)11-8-16(28)14-19(25)17(10-13-27)23(31)26(20,21)32/h13,15,17-21,23,31-32H,4-12,14H2,1-3H3,(H,29,30)/t15?,17?,18?,19?,20?,21?,23?,24?,25?,26? SMILES (mnx) [CH3:1][CH:15]([CH2:4][CH2:7][C:22](=[O:29])[OH:30])[CH:18]1[CH2:5][CH2:6][CH:20]2[C:24]1([CH3:2])[CH2:12][CH2:9][CH:21]1[C:25]3([CH3:3])[CH2:11][CH2:8][C:16](=[O:28])[CH2:14][CH:19]3[CH:17]([CH2:10][CH:13]=[O:27])[CH:23]([OH:31])[C:26]21[OH:32]

Parent-child relations graph

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