compound 0066322

Properties Image MNX_ID MNXM1190339 reference envipathM:...2b3e49934677 formula C17H32O3 global charge 0 mol weight 284.44 InChIKey SQTCYOYVGJDEOS-UHFFFAOYSA-N InChI InChI=1S/C17H32O3/c1-12-5-6-13(14(18)11-12)15(2,3)17(20)9-7-16(4,19)8-10-17/h12-14,18-20H,5-11H2,1-4H3 SMILES CC1CCC(C(C)(C)C2(O)CCC(C)(O)CC2)C(O)C1 MNX internals InChI (mnx) InChI=1/C17H32O3/c1-12-5-6-13(14(18)11-12)15(2,3)17(20)9-7-16(4,19)8-10-17/h12-14,18-20H,5-11H2,1-4H3/t12?,13?,14?,16?,17? SMILES (mnx) [CH3:1][CH:12]1[CH2:5][CH2:6][CH:13]([C:15]([CH3:2])([CH3:3])[C:17]2([OH:20])[CH2:9][CH2:7][C:16]([CH3:4])([OH:19])[CH2:8][CH2:10]2)[CH:14]([OH:18])[CH2:11]1

Parent-child relations graph

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