Mrv1652309072207472D 18 19 0 0 1 0 999 V2000 4.0360 0.3559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3884 1.1019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2106 1.1697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9185 1.7800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0963 1.7122 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.7439 0.9662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9217 0.8984 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9402 1.7232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5694 0.1525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7471 0.0847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3948 -0.6613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2773 0.7628 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.1925 1.4409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6297 1.5088 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4519 1.5766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8043 2.3225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6265 2.3903 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.9789 3.1363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 5 4 1 6 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 6 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 1 0 0 0 14 13 1 1 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 5 17 1 0 0 0 0 17 18 1 1 0 0 0 M END > NP0244897 > NP-MRD > C[C@@H]1C[C@@H](OC(C)=O)[C@H](O)\C=C\[C@@H]2O[C@@H]2C(=O)O1 > InChI=1S/C12H16O6/c1-6-5-10(17-7(2)13)8(14)3-4-9-11(18-9)12(15)16-6/h3-4,6,8-11,14H,5H2,1-2H3/b4-3+/t6-,8-,9+,10-,11+/m1/s1 > GITGKBOJRJGOIP-STGUVPQBSA-N > C12H16O6 > 256.254 > 256.094688235 > 4 > 34 > 24.63928651049952 > 1 > 1 > 0 > 1 > (1S,4R,6R,7R,8E,10S)-7-hydroxy-4-methyl-2-oxo-3,11-dioxabicyclo[8.1.0]undec-8-en-6-yl acetate > -0.1386937663333337 > 0 > 2 > 0 > 13.790901691449438 > -3.3276596001600156 > 85.36 > 60.02300000000001 > 2 > 1 > (1S,4R,6R,7R,8E,10S)-7-hydroxy-4-methyl-2-oxo-3,11-dioxabicyclo[8.1.0]undec-8-en-6-yl acetate > 0 > NP0244897 > (1s,4r,6r,7r,8e,10s)-7-hydroxy-4-methyl-2-oxo-3,11-dioxabicyclo[8.1.0]undec-8-en-6-yl acetate $$$$