9811415 -OEChem-05112414362D 105108 0 1 0 0 0 0 0999 V2000 3.4641 6.6627 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 6.6627 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 10.8412 2.2443 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5247 1.0774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3701 1.9661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7572 3.9254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1656 5.7258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4676 7.5482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 11.1627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 11.1627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9155 13.7054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5135 15.2054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7815 15.2054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0494 12.2054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9071 6.7967 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 7.6627 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.3410 5.8957 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3410 5.8957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9645 5.1139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7175 5.1139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7420 4.1390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8410 3.7051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9400 4.1390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7472 2.6677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6116 3.5656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8310 5.5335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3234 3.3763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6032 2.0743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5417 2.5263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9491 5.1044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4704 7.6230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3426 3.3803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7321 4.1479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0366 8.5239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7550 1.2480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3487 0.5109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2694 2.4035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4624 2.9698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 9.1627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 8.1627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 9.6627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 9.6627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 7.6627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 6.6627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3301 9.1627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3301 8.1627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 6.1627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 6.1627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 10.6627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 5.1627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 5.1627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 4.6627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6475 13.7054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7815 13.2054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5135 13.2054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7815 12.2054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5135 12.2054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6475 11.7054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6475 14.7054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0494 13.2054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1834 13.7054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6709 6.4207 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8996 6.1648 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2030 6.5002 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5231 4.8449 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3511 5.5987 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2889 6.8430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1670 3.8410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8277 6.1535 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5894 2.8163 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0721 2.8224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5952 8.7929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7675 9.0825 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4780 8.2549 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1373 1.3015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7015 0.6303 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3727 1.1945 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9975 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8596 0.1597 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7000 1.0218 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5406 1.8459 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8270 2.6747 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9983 2.9611 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8700 3.1526 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2797 2.3774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0549 2.7871 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1215 9.7704 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5200 9.0801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1951 7.9727 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 10.2827 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 7.0427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 9.4727 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 7.8527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 4.8527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3291 4.8527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 4.0427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 11.7827 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0505 13.5154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2445 11.8954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0505 11.8954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6475 11.0854 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4934 14.2424 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6465 14.0154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8734 13.1685 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5135 15.8254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 47 1 0 0 0 0 2 48 1 0 0 0 0 3 24 1 0 0 0 0 3 35 1 0 0 0 0 4 28 1 0 0 0 0 4 36 1 0 0 0 0 5 29 1 0 0 0 0 5 37 1 0 0 0 0 6 33 1 0 0 0 0 6 38 1 0 0 0 0 7 30 2 0 0 0 0 8 31 2 0 0 0 0 9 49 1 0 0 0 0 9 97 1 0 0 0 0 10 49 2 0 0 0 0 11 54 1 0 0 0 0 11 60 1 0 0 0 0 12 59 1 0 0 0 0 12105 1 0 0 0 0 13 59 2 0 0 0 0 14 60 2 0 0 0 0 17 15 1 1 0 0 0 15 31 1 0 0 0 0 15 67 1 0 0 0 0 16 40 1 0 0 0 0 16 44 1 0 0 0 0 16 89 1 0 0 0 0 17 18 1 0 0 0 0 17 20 1 0 0 0 0 17 62 1 0 0 0 0 18 19 1 0 0 0 0 18 63 1 0 0 0 0 18 64 1 0 0 0 0 19 21 1 0 0 0 0 19 65 1 0 0 0 0 19 66 1 0 0 0 0 20 23 1 0 0 0 0 20 26 2 0 0 0 0 21 22 1 0 0 0 0 21 25 2 0 0 0 0 22 23 1 0 0 0 0 22 24 2 0 0 0 0 23 27 2 0 0 0 0 24 28 1 0 0 0 0 25 29 1 0 0 0 0 25 68 1 0 0 0 0 26 30 1 0 0 0 0 26 69 1 0 0 0 0 27 32 1 0 0 0 0 27 70 1 0 0 0 0 28 29 2 0 0 0 0 30 33 1 0 0 0 0 31 34 1 0 0 0 0 32 33 2 0 0 0 0 32 71 1 0 0 0 0 34 72 1 0 0 0 0 34 73 1 0 0 0 0 34 74 1 0 0 0 0 35 75 1 0 0 0 0 35 76 1 0 0 0 0 35 77 1 0 0 0 0 36 78 1 0 0 0 0 36 79 1 0 0 0 0 36 80 1 0 0 0 0 37 81 1 0 0 0 0 37 82 1 0 0 0 0 37 83 1 0 0 0 0 38 84 1 0 0 0 0 38 85 1 0 0 0 0 38 86 1 0 0 0 0 39 40 1 0 0 0 0 39 41 1 0 0 0 0 39 42 2 0 0 0 0 40 43 2 0 0 0 0 41 49 1 0 0 0 0 41 87 1 0 0 0 0 41 88 1 0 0 0 0 42 45 1 0 0 0 0 42 90 1 0 0 0 0 43 46 1 0 0 0 0 43 91 1 0 0 0 0 44 47 2 0 0 0 0 44 48 1 0 0 0 0 45 46 2 0 0 0 0 45 92 1 0 0 0 0 46 93 1 0 0 0 0 47 50 1 0 0 0 0 48 51 2 0 0 0 0 50 52 2 0 0 0 0 50 94 1 0 0 0 0 51 52 1 0 0 0 0 51 95 1 0 0 0 0 52 96 1 0 0 0 0 53 54 1 0 0 0 0 53 55 2 0 0 0 0 53 59 1 0 0 0 0 54 56 2 0 0 0 0 55 57 1 0 0 0 0 55 98 1 0 0 0 0 56 58 1 0 0 0 0 56 99 1 0 0 0 0 57 58 2 0 0 0 0 57100 1 0 0 0 0 58101 1 0 0 0 0 60 61 1 0 0 0 0 61102 1 0 0 0 0 61103 1 0 0 0 0 61104 1 0 0 0 0 M END > 9811415 > 1 > 1260 > 13 > 4 > 12 > AAADcfB/PAAGAAAAAAAAAAAAAAAAAAAAAAAwYMGABggAAAABVAAAHgIQCAAADC7BmCYyzoLABgCIAqXSWAKCCAAlJwAIiIFO7sgNJ3bFt5/Ge2rl9hXK+Ye8+P+OoAABCACaQBBAAAIQATSAIAAAAAAAAA== > 2-acetoxybenzoic acid;2-[2-(2,6-dichloroanilino)phenyl]acetic acid;N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide > 2-acetyloxybenzoic acid;2-[2-(2,6-dichloroanilino)phenyl]acetic acid;N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide > 2-acetyloxybenzoic acid;2-[2-(2,6-dichloroanilino)phenyl]acetic acid;N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide > 2-acetyloxybenzoic acid;2-[2-(2,6-dichloroanilino)phenyl]acetic acid;N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide > 2-acetyloxybenzoic acid;2-[2-[[2,6-bis(chloranyl)phenyl]amino]phenyl]ethanoic acid;N-[(7S)-1,2,3,10-tetramethoxy-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-7-yl]ethanamide > 2-acetoxybenzoic acid;2-[2-(2,6-dichloroanilino)phenyl]acetic acid;N-[(7S)-9-keto-1,2,3,10-tetramethoxy-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide > InChI=1S/C22H25NO6.C14H11Cl2NO2.C9H8O4/c1-12(24)23-16-8-6-13-10-19(27-3)21(28-4)22(29-5)20(13)14-7-9-18(26-2)17(25)11-15(14)16;15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19;1-6(10)13-8-5-3-2-4-7(8)9(11)12/h7,9-11,16H,6,8H2,1-5H3,(H,23,24);1-7,17H,8H2,(H,18,19);2-5H,1H3,(H,11,12)/t16-;;/m0../s1 > YQPNOAQOPKUIST-SQKCAUCHSA-N > 874.2271302 > C45H44Cl2N2O12 > 875.7 > CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC.CC(=O)OC1=CC=CC=C1C(=O)O.C1=CC=C(C(=C1)CC(=O)O)NC2=C(C=CC=C2Cl)Cl > CC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC.CC(=O)OC1=CC=CC=C1C(=O)O.C1=CC=C(C(=C1)CC(=O)O)NC2=C(C=CC=C2Cl)Cl > 196 > 874.2271302 > 0 > 61 > 1 > 0 > 0 > 0 > 0 > 3 > -1 > 1 5 255 > 17 15 5 20 23 8 20 26 8 21 22 8 21 25 8 22 24 8 23 27 8 24 28 8 25 29 8 26 30 8 27 32 8 28 29 8 30 33 8 32 33 8 39 40 8 39 42 8 40 43 8 42 45 8 43 46 8 44 47 8 44 48 8 45 46 8 47 50 8 48 51 8 50 52 8 51 52 8 53 54 8 53 55 8 54 56 8 55 57 8 56 58 8 57 58 8 $$$$