54721225 -OEChem-03282406322D 43 44 0 1 0 0 0 0 0999 V2000 8.4343 -1.5006 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 8.4343 0.2314 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.9343 -1.6346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5381 -0.1105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3198 -3.1692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0682 -3.1346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3362 0.8654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0682 0.8654 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3362 2.8654 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2022 -0.6346 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0682 -0.1346 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9343 -0.6346 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3083 -0.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2022 -1.6346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4022 -0.6138 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4022 -1.6554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3083 -2.1693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9343 -0.6346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4343 0.2314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0682 -2.1346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2022 1.3654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2022 2.3654 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0682 2.8654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2088 0.2154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6052 0.1754 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7129 0.3698 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9147 0.3791 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8647 -0.9228 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7914 -1.5493 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1932 -2.2391 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6052 1.1754 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5543 -0.6346 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9712 -0.0786 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7443 0.7684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8973 0.5414 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.4184 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2022 2.9854 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7865 -3.4854 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3783 2.3285 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6052 3.1754 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7582 3.4023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3362 3.4854 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7993 2.5554 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 2 18 1 0 0 0 0 3 12 1 0 0 0 0 3 20 1 0 0 0 0 15 4 1 1 0 0 0 4 36 1 0 0 0 0 5 17 1 0 0 0 0 5 38 1 0 0 0 0 6 20 2 0 0 0 0 7 21 2 0 0 0 0 11 8 1 1 0 0 0 8 21 1 0 0 0 0 8 31 1 0 0 0 0 22 9 1 1 0 0 0 9 42 1 0 0 0 0 9 43 1 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 10 14 1 0 0 0 0 10 24 1 6 0 0 0 11 12 1 0 0 0 0 11 25 1 0 0 0 0 12 18 1 0 0 0 0 12 19 1 6 0 0 0 13 15 1 0 0 0 0 13 26 1 0 0 0 0 13 27 1 0 0 0 0 14 17 2 0 0 0 0 14 20 1 0 0 0 0 15 16 1 0 0 0 0 15 28 1 0 0 0 0 16 17 1 0 0 0 0 16 29 1 0 0 0 0 16 30 1 0 0 0 0 18 32 1 0 0 0 0 19 33 1 0 0 0 0 19 34 1 0 0 0 0 19 35 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 37 1 0 0 0 0 23 39 1 0 0 0 0 23 40 1 0 0 0 0 23 41 1 0 0 0 0 M END > 54721225 > 1 > 553 > 6 > 4 > 3 > AAADceBzOAAGAAAAAAAAAAAAAAAAAAAAAAAkQAAAAAAAAACAAAAAHgIQCAAADX/hgMYCCALABgCIAgHQGAAAAAAgIAAACIGIA0gCVBIBoAAXUAAF1gCYIQO87PzOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > (2S)-N-[(3S,4R,4aR,6S)-3-(dichloromethyl)-6,8-dihydroxy-3-methyl-1-oxo-4a,5,6,7-tetrahydro-4H-isochromen-4-yl]-2-amino-propanamide > (2S)-N-[(3S,4R,4aR,6S)-3-(dichloromethyl)-6,8-dihydroxy-3-methyl-1-oxo-4a,5,6,7-tetrahydro-4H-2-benzopyran-4-yl]-2-aminopropanamide > (2S)-N-[(3S,4R,4aR,6S)-3-(dichloromethyl)-6,8-dihydroxy-3-methyl-1-oxo-4a,5,6,7-tetrahydro-4H-isochromen-4-yl]-2-aminopropanamide > (2S)-N-[(3S,4R,4aR,6S)-3-(dichloromethyl)-6,8-dihydroxy-3-methyl-1-oxo-4a,5,6,7-tetrahydro-4H-isochromen-4-yl]-2-aminopropanamide > (2S)-N-[(3S,4R,4aR,6S)-3-[bis(chloranyl)methyl]-3-methyl-6,8-bis(oxidanyl)-1-oxidanylidene-4a,5,6,7-tetrahydro-4H-isochromen-4-yl]-2-azanyl-propanamide > (2S)-N-[(3S,4R,4aR,6S)-3-(dichloromethyl)-6,8-dihydroxy-1-keto-3-methyl-4a,5,6,7-tetrahydro-4H-isochromen-4-yl]-2-amino-propionamide > InChI=1S/C14H20Cl2N2O5/c1-5(17)11(21)18-10-7-3-6(19)4-8(20)9(7)12(22)23-14(10,2)13(15)16/h5-7,10,13,19-20H,3-4,17H2,1-2H3,(H,18,21)/t5-,6-,7+,10+,14-/m0/s1 > JSRXKUDJDNEKAW-NTQPJNNGSA-N > 0.6 > 366.0749271 > C14H20Cl2N2O5 > 367.2 > CC(C(=O)NC1C2CC(CC(=C2C(=O)OC1(C)C(Cl)Cl)O)O)N > C[C@@H](C(=O)N[C@@H]1[C@@H]2C[C@@H](CC(=C2C(=O)O[C@]1(C)C(Cl)Cl)O)O)N > 122 > 366.0749271 > 0 > 23 > 5 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 24 6 12 19 6 15 4 5 11 8 5 22 9 5 $$$$