neopentalenolactone F

Properties Image MNX_ID MNXM12451 reference metacycM:CPD-13624 formula C15H17O5 global charge -1 mol weight 277.296 InChIKey YWHKSSBMSXJUIW-RCVHVDPASA-M InChI InChI=1S/C15H18O5/c1-13(2)5-8-3-9(12(17)18)10-4-11(16)20-15(7-19-15)14(8,10)6-13/h3,8,10H,4-7H2,1-2H3,(H,17,18)/p-1/t8?,10-,14+,15+/m0/s1 SMILES CC1(C)CC2C=C(C(=O)[O-])[C@@H]3CC(=O)O[C@]4(CO4)[C@]23C1 MNX internals InChI (mnx) InChI=1/C15H18O5/c1-13(2)5-8-3-9(12(17)18)10-4-11(16)20-15(7-19-15)14(8,10)6-13/h3,8,10H,4-7H2,1-2H3,(H,17,18)/t8?,10-,14+,15+/m0/s1 SMILES (mnx) [CH3:1][C:13]1([CH3:2])[CH2:5][CH:8]2[CH:3]=[C:9]([C:12](=[O:17])[OH:18])[C@@H:10]3[CH2:4][C:11](=[O:16])[O:20][C@:15]4([CH2:7][O:19]4)[C@:14]23[CH2:6]1

Parent-child relations graph

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