264743 -OEChem-03292407382D 46 49 0 1 0 0 0 0 0999 V2000 6.2621 -2.7502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5836 -2.0545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6152 -0.9677 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3958 0.7502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.2498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5505 0.7978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1279 0.7502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 -1.7498 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.3958 -2.2498 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.5298 -1.7498 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1279 -2.2498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5298 -0.7498 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1279 -1.2498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3958 -0.2498 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.9939 -1.7498 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5836 -0.4450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 -0.7498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9939 -0.7498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1279 -0.2498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -1.2498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1158 -0.1028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2729 0.5055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 1.2502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 2.2502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1279 2.7502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3958 2.7502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0858 -2.7867 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5298 -2.5998 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7294 -2.7247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5264 -2.7247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5298 0.1002 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4379 -1.7867 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6648 -0.9398 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8179 -0.7128 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9328 0.0602 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5490 -2.3935 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8633 -1.2247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6604 -1.2247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5309 -0.4398 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6870 0.9669 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6663 0.6333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4379 2.2133 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6648 3.0602 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8179 3.2872 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3958 3.3702 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8589 2.4402 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 9 1 0 0 0 0 2 10 1 0 0 0 0 2 20 1 0 0 0 0 3 15 1 0 0 0 0 3 21 1 0 0 0 0 14 4 1 1 0 0 0 4 23 1 0 0 0 0 5 20 2 0 0 0 0 6 21 2 0 0 0 0 7 23 2 0 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 8 13 1 0 0 0 0 9 10 1 0 0 0 0 9 27 1 0 0 0 0 10 12 1 0 0 0 0 10 28 1 6 0 0 0 11 15 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 12 14 1 0 0 0 0 12 16 1 0 0 0 0 12 31 1 1 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 14 17 1 0 0 0 0 14 35 1 0 0 0 0 15 18 1 0 0 0 0 15 36 1 1 0 0 0 16 20 1 0 0 0 0 16 22 2 0 0 0 0 17 19 1 0 0 0 0 17 37 1 0 0 0 0 17 38 1 0 0 0 0 18 19 2 0 0 0 0 18 39 1 0 0 0 0 19 21 1 0 0 0 0 22 40 1 0 0 0 0 22 41 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 24 26 2 0 0 0 0 25 42 1 0 0 0 0 25 43 1 0 0 0 0 25 44 1 0 0 0 0 26 45 1 0 0 0 0 26 46 1 0 0 0 0 M END > 264743 > 1 > 779 > 7 > 0 > 3 > AAADceB4OAAAAAAAAAAAAAAAEgAAASIAAAAAAAAAAAAAAACAAAAAGgAAAAAADVSggAICCAAABACIAiDSCAAAAAAgAAAACAEAAEgBBBIAIQACEAAFwAAKIYPK7PzOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > [(1R,6S,10R,11S)-3-methyl-9-methylene-8,14-dioxo-4,7,15-trioxatetracyclo[11.2.1.03,5.06,10]hexadec-13(16)-en-11-yl] 2-methylprop-2-enoate > 2-methyl-2-propenoic acid [(1R,6S,10R,11S)-3-methyl-9-methylene-8,14-dioxo-4,7,15-trioxatetracyclo[11.2.1.03,5.06,10]hexadec-13(16)-en-11-yl] ester > [(1R,6S,10R,11S)-3-methyl-9-methylidene-8,14-dioxo-4,7,15-trioxatetracyclo[11.2.1.03,5.06,10]hexadec-13(16)-en-11-yl] 2-methylprop-2-enoate > [(1R,6S,10R,11S)-3-methyl-9-methylidene-8,14-dioxo-4,7,15-trioxatetracyclo[11.2.1.03,5.06,10]hexadec-13(16)-en-11-yl] 2-methylprop-2-enoate > [(1R,6S,10R,11S)-3-methyl-9-methylidene-8,14-bis(oxidanylidene)-4,7,15-trioxatetracyclo[11.2.1.03,5.06,10]hexadec-13(16)-en-11-yl] 2-methylprop-2-enoate > 2-methylacrylic acid [(1R,6S,10R,11S)-8,14-diketo-3-methyl-9-methylene-4,7,15-trioxatetracyclo[11.2.1.03,5.06,10]hexadec-13(16)-en-11-yl] ester > InChI=1S/C19H20O7/c1-8(2)16(20)24-12-6-10-5-11(23-18(10)22)7-19(4)15(26-19)14-13(12)9(3)17(21)25-14/h5,11-15H,1,3,6-7H2,2,4H3/t11-,12-,13+,14-,15?,19?/m0/s1 > WIQOUTANBFOBPB-WILRRUMQSA-N > 0.7 > 360.12090297 > C19H20O7 > 360.4 > CC(=C)C(=O)OC1CC2=CC(CC3(C(O3)C4C1C(=C)C(=O)O4)C)OC2=O > CC(=C)C(=O)O[C@H]1CC2=C[C@@H](CC3(C(O3)[C@@H]4[C@@H]1C(=C)C(=O)O4)C)OC2=O > 91.4 > 360.12090297 > 0 > 26 > 4 > 2 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 9 1 3 10 28 6 12 31 5 15 36 5 14 4 5 8 13 3 $$$$