neopentalenolactone E

Properties Image MNX_ID MNXM12450 reference metacycM:CPD-13638 formula C15H17O4 global charge -1 mol weight 261.297 InChIKey NMQMLYMVPLMPSU-BRIYQRAZSA-M InChI InChI=1S/C15H18O4/c1-8-15-7-14(2,3)6-9(15)4-10(13(17)18)11(15)5-12(16)19-8/h4,9,11H,1,5-7H2,2-3H3,(H,17,18)/p-1/t9?,11-,15+/m0/s1 SMILES C=C1OC(=O)C[C@H]2C(C(=O)[O-])=CC3CC(C)(C)C[C@@]132 MNX internals InChI (mnx) InChI=1/C15H18O4/c1-8-15-7-14(2,3)6-9(15)4-10(13(17)18)11(15)5-12(16)19-8/h4,9,11H,1,5-7H2,2-3H3,(H,17,18)/t9?,11-,15+/m0/s1 SMILES (mnx) [CH2:1]=[C:8]1[C@:15]23[CH2:7][C:14]([CH3:2])([CH3:3])[CH2:6][CH:9]2[CH:4]=[C:10]([C:13](=[O:17])[OH:18])[C@@H:11]3[CH2:5][C:12](=[O:16])[O:19]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 3 in models (compartimentalized) 0