methyl aignopsanoate

Properties Image MNX_ID MNXM106615 reference chebi:69133 formula C16H24O3 global charge 0 mol weight 264.365 InChIKey CJQOKVDQHHONIF-USYVDOKNSA-N InChI InChI=1S/C16H24O3/c1-11-6-5-8-16(3)14(18)12(10-13(17)19-4)7-9-15(11,16)2/h10-11H,5-9H2,1-4H3/b12-10-/t11-,15+,16+/m0/s1 SMILES COC(=O)/C=C1/CC[C@]2(C)[C@@H](C)CCC[C@]2(C)C1=O MNX internals InChI (mnx) InChI=1/C16H24O3/c1-11-6-5-8-16(3)14(18)12(10-13(17)19-4)7-9-15(11,16)2/h10-11H,5-9H2,1-4H3/b12-10-/t11-,15+,16+/m0/s1 SMILES (mnx) [CH3:1][C@H:11]1[CH2:6][CH2:5][CH2:8][C@:16]2([CH3:3])[C:14](=[O:18])/[C:12](=[CH:10]\[C:13](=[O:17])[O:19][CH3:4])[CH2:7][CH2:9][C@:15]12[CH3:2]

Parent-child relations graph

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