11032594 CDK 0602212311 18 18 0 0 0 0 0 0 0 0999 V2000 3.5219 -0.0784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9508 -0.0784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5219 -2.5534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0929 -1.7284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9508 -1.7284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0929 0.7466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2364 2.8091 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5219 -1.7284 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8075 -1.3159 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2364 -1.3159 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8075 -0.4909 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2364 -0.4909 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0929 -0.0784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9508 0.7466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6654 1.1591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3798 0.7466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6654 1.9841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9508 2.3966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 12 2 1 1 0 0 0 2 14 1 0 0 0 0 8 3 1 1 0 0 0 9 4 1 6 0 0 0 10 5 1 6 0 0 0 6 13 1 0 0 0 0 7 18 3 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 9 11 1 0 0 0 0 10 12 1 0 0 0 0 11 13 1 1 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 2 0 0 0 0 17 18 1 0 0 0 0 M END > CHEBI:173851 > Osmaronin > 2 > (Z)-3-methyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybut-2-enenitrile > C11H17NO6 > 259.258 > 259.10559 > 0 > O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC/C(/C)=C\C#N)CO > InChI=1S/C11H17NO6/c1-6(2-3-12)5-17-11-10(16)9(15)8(14)7(4-13)18-11/h2,7-11,13-16H,4-5H2,1H3/b6-2-/t7-,8-,9+,10-,11-/m1/s1 > DAVUWBZDLSJMFA-GMLQCYRESA-N $$$$