compound 0098912

Properties Image MNX_ID MNXM1180250 reference envipathM:...e0e0e7e934cb formula C12H23O5 global charge -1 mol weight 247.311 InChIKey AQCVZQHIMSBOSQ-UHFFFAOYSA-M InChI InChI=1S/C12H24O5/c1-10(2,3)6-8(14)12(17,9(15)16)11(4,5)7-13/h8,13-14,17H,6-7H2,1-5H3,(H,15,16)/p-1 SMILES CC(C)(C)CC(O)C(O)(C(=O)[O-])C(C)(C)CO MNX internals InChI (mnx) InChI=1/C12H24O5/c1-10(2,3)6-8(14)12(17,9(15)16)11(4,5)7-13/h8,13-14,17H,6-7H2,1-5H3,(H,15,16)/t8?,12? SMILES (mnx) [CH3:1][C:10]([CH3:2])([CH3:3])[CH2:6][CH:8]([C:12]([C:9](=[O:15])[OH:16])([C:11]([CH3:4])([CH3:5])[CH2:7][OH:13])[OH:17])[OH:14]

Parent-child relations graph

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