compound 0046760

Properties Image MNX_ID MNXM1187050 reference envipathM:...3725e81ad27e formula C22H30O5 global charge 0 mol weight 374.477 InChIKey ZUCBCDTXXHMZFT-FOWTUZBSSA-N InChI InChI=1S/C22H30O5/c1-13-10-18(27-19(13)24)26-12-16-17(23)11-21(4)9-7-14-15(22(16,21)25)6-5-8-20(14,2)3/h10,12,14-15,18,25H,5-9,11H2,1-4H3/b16-12+ SMILES CC1=CC(O/C=C2\C(=O)CC3(C)CCC4C(CCCC4(C)C)C23O)OC1=O MNX internals InChI (mnx) InChI=1/C22H30O5/c1-13-10-18(27-19(13)24)26-12-16-17(23)11-21(4)9-7-14-15(22(16,21)25)6-5-8-20(14,2)3/h10,12,14-15,18,25H,5-9,11H2,1-4H3/b16-12+/t14?,15?,18?,21?,22? SMILES (mnx) [CH3:1][C:13]1=[CH:10][CH:18]([O:26]/[CH:12]=[C:16]2\[C:17](=[O:23])[CH2:11][C:21]3([CH3:4])[CH2:9][CH2:7][CH:14]4[CH:15]([CH2:6][CH2:5][CH2:8][C:20]4([CH3:2])[CH3:3])[C:22]23[OH:25])[O:27][C:19]1=[O:24]

Parent-child relations graph

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