Mrv1652309092222442D 10 9 0 0 1 0 999 V2000 3.3000 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4750 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0625 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4750 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2375 0.7145 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8250 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 1 0 0 0 5 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 4 0 0 0 8 10 1 0 0 0 0 M END > NP0290178 > NP-MRD > CCC(=O)[C@H](C)N=C(C)O > InChI=1S/C7H13NO2/c1-4-7(10)5(2)8-6(3)9/h5H,4H2,1-3H3,(H,8,9)/t5-/m0/s1 > HJVMRLXOYGGMIH-YFKPBYRVSA-N > C7H13NO2 > 143.186 > 143.094628663 > 3 > 23 > 15.478220375120367 > 1 > 1 > 0 > 0 > N-[(2S)-3-oxopentan-2-yl]ethanimidic acid > 1.0899007850000002 > 0 > 0 > 0 > 18.84800219156167 > 6.334824101144082 > 2.898098614954716 > 49.66 > 38.6408 > 3 > 1 > N-[(2S)-3-oxopentan-2-yl]ethanimidic acid > 0 > NP0290178 > n-[(2s)-3-oxopentan-2-yl]ethanimidic acid $$$$