Mrv1652309122217392D 19 20 0 0 1 0 999 V2000 1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -2.4750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1434 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 -3.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 -4.9500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 -6.1875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -4.9500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -3.7125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0000 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 6 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 7 14 1 0 0 0 0 4 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 1 0 0 0 17 19 1 0 0 0 0 2 19 1 0 0 0 0 M END > NP0330378 > NP-MRD > C[C@H]1C[C@H](C)C(=O)\C(C1)=C\CC1CC(O)=NC(=O)C1 > InChI=1S/C15H21NO3/c1-9-5-10(2)15(19)12(6-9)4-3-11-7-13(17)16-14(18)8-11/h4,9-11H,3,5-8H2,1-2H3,(H,16,17,18)/b12-4+/t9-,10-/m0/s1 > KWDFWSRTWRWCPS-JNCFRARESA-N > C15H21NO3 > 263.337 > 263.15214354 > 4 > 40 > 29.115227033842164 > 1 > 1 > 0 > 1 > 4-{2-[(1E,3S,5S)-3,5-dimethyl-2-oxocyclohexylidene]ethyl}-6-hydroxy-2,3,4,5-tetrahydropyridin-2-one > 2.3534647203333336 > 0 > 2 > 0 > 3.6206525503543125 > -3.308081171304121 > 66.72999999999999 > 72.77140000000001 > 2 > 1 > 4-{2-[(1E,3S,5S)-3,5-dimethyl-2-oxocyclohexylidene]ethyl}-6-hydroxy-4,5-dihydro-3H-pyridin-2-one > 0 > NP0330378 > 4-{2-[(1e,3s,5s)-3,5-dimethyl-2-oxocyclohexylidene]ethyl}-6-hydroxy-4,5-dihydro-3h-pyridin-2-one $$$$