Ketcher 07181814182D 1 1.00000 0.00000 0 12 12 0 0 0 999 V2000 -2.9009 1.9368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7115 1.3478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4019 0.3949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3999 0.3949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0903 1.3478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6645 1.6574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1372 1.6574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8110 -0.3887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8144 -0.3111 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2254 -1.1217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7711 -1.0170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4068 0.6044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 1 5 1 0 0 0 2 6 1 6 0 0 5 7 2 0 0 0 4 8 2 0 0 0 8 9 1 0 0 0 9 10 1 0 0 0 10 11 2 0 0 0 9 12 1 0 0 0 M END > CHEBI:141413 > (Z)-2-((N-methylformamido)methylene)-5-hydroxybutanolactone > 2 > (Z)-2-((N-methylformamido)methylene)-5-hydroxybutanolactone > C7H9NO4 > 171.151 > 171.05316 > 0 > O1[C@H](C/C(/C1=O)=C/N(C=O)C)O > InChI=1S/C7H9NO4/c1-8(4-9)3-5-2-6(10)12-7(5)11/h3-4,6,10H,2H2,1H3/b5-3-/t6-/m1/s1 > CKZDQHXHGRMYBG-CWVDAHFDSA-N > 29686076 $$$$