compound 0098439

Properties Image MNX_ID MNXM1180980 reference envipathM:...2c51253da3b1 formula C13H21O4 global charge -1 mol weight 241.307 InChIKey PAKMPCHQZCJKJD-FPLPWBNLSA-M InChI InChI=1S/C13H22O4/c1-12(2,3)7-8(14)9(13(4,5)6)10(15)11(16)17/h7,9,14H,1-6H3,(H,16,17)/p-1/b8-7- SMILES CC(C)(C)/C=C(\O)C(C(=O)C(=O)[O-])C(C)(C)C MNX internals InChI (mnx) InChI=1/C13H22O4/c1-12(2,3)7-8(14)9(13(4,5)6)10(15)11(16)17/h7,9,14H,1-6H3,(H,16,17)/b8-7-/t9? SMILES (mnx) [CH3:1][C:12]([CH3:2])([CH3:3])/[CH:7]=[C:8](/[CH:9]([C:10]([C:11]([OH:16])=[O:17])=[O:15])[C:13]([CH3:4])([CH3:5])[CH3:6])[OH:14]

Parent-child relations graph

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