1034 Mrv0541 02231215112D 16 16 0 0 1 0 999 V2000 3.9345 0.9760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0615 -0.9760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8075 -0.9760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0930 0.2615 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3470 0.2615 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5220 0.2615 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0615 -0.1510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7760 0.2615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8075 -0.1510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4905 -0.1510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2050 0.2615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9194 -0.1510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6339 0.2615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3484 -0.1510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0629 0.2615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7774 -0.1510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 2 7 2 0 0 0 0 3 9 2 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 6 0 0 0 6 9 1 6 0 0 0 7 8 1 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 3 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 3 0 0 0 15 16 1 0 0 0 0 M END > DB01034 > drugbank > CC=CCC=CCCC(=O)[C@H]1O[C@H]1C(N)=O > InChI=1S/C12H17NO3/c1-2-3-4-5-6-7-8-9(14)10-11(16-10)12(13)15/h2-3,5-6,10-11H,4,7-8H2,1H3,(H2,13,15)/b3-2+,6-5+/t10-,11-/m1/s1 > InChIKey=GVEZIHKRYBHEFX-NQQPLRFYSA-N > 3 > 23.901511054240988 > 1 > 1 > 223.120843415 > 0 > C12H17NO3 > 1 > (2R,3S)-3-(nona-4,7-dienoyl)oxirane-2-carboxamide > 1.38 > 1.4996911163333335 > -2.14 > 223.2683 > 0 > 1 > 0 > 18.68536616192688 > 14.15640801160168 > -4.324867253494774 > 72.69 > 62.5427 > 7 > 1 > 1.60e+00 g/l > (2R,3S)-3-(nona-4,7-dienoyl)oxirane-2-carboxamide > 0 > DB01034 > approved > Cerulenin $$$$