53475898 -OEChem-05082413562D 116119 0 1 0 0 0 0 0999 V2000 9.6488 2.2443 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6488 13.3324 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3322 1.0774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3322 12.1655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1777 1.9661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1777 13.0542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5647 3.9254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5647 15.0135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9731 5.7258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9731 16.8139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2752 7.5482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2752 18.6363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 10.3353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 9.8353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 8.8353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 11.3353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7146 6.7967 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7146 17.8848 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.1485 5.8957 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.1485 16.9838 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1485 5.8957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1485 16.9838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7720 5.1139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7720 16.2020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5250 5.1139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5250 16.2020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5495 4.1390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5495 15.2271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6485 3.7051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6485 14.7932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7476 4.1390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7476 15.2271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5547 2.6677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5547 13.7558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4191 3.5656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4191 14.6536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6385 5.5335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6385 16.6216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1309 3.3763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1309 14.4644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4108 2.0743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4108 13.1624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3492 2.5263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3492 13.6144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7566 5.1044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7566 16.1925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2780 7.6230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2780 18.7110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1501 3.3803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1501 14.4683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5396 4.1479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5396 15.2360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8441 8.5239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8441 19.6120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5625 1.2480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5625 12.3361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1563 0.5109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1563 11.5990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0769 2.4035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0769 13.4916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2700 2.9698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2700 14.0579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 9.8353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 10.3353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4784 6.4207 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5324 17.0532 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7071 6.1648 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0106 6.5002 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7071 17.2528 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0106 17.5883 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3306 4.8449 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1586 5.5987 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3306 15.9330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1586 16.6867 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0964 6.8430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0964 17.9311 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9745 3.8410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9745 14.9291 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6352 6.1535 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6352 17.2416 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3969 2.8163 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3969 13.9043 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8796 2.8224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8796 13.9105 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4027 8.7929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5751 9.0825 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2855 8.2549 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4027 19.8810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5751 20.1706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2855 19.3430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9448 1.3015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5090 0.6303 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1802 1.1945 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9448 12.3896 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5090 11.7184 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1802 12.2826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8050 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6672 0.1597 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5075 1.0218 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8050 11.0881 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6672 11.2478 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5075 12.1099 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3481 1.8459 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6345 2.6747 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8058 2.9611 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3481 12.9340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6345 13.7627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8058 14.0491 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6775 3.1526 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0872 2.3774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8624 2.7871 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6775 14.2406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0872 13.4654 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8624 13.8751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 10.0253 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6720 10.1453 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 33 1 0 0 0 0 1 55 1 0 0 0 0 2 34 1 0 0 0 0 2 56 1 0 0 0 0 3 41 1 0 0 0 0 3 57 1 0 0 0 0 4 42 1 0 0 0 0 4 58 1 0 0 0 0 5 43 1 0 0 0 0 5 59 1 0 0 0 0 6 44 1 0 0 0 0 6 60 1 0 0 0 0 7 51 1 0 0 0 0 7 61 1 0 0 0 0 8 52 1 0 0 0 0 8 62 1 0 0 0 0 9 45 2 0 0 0 0 10 46 2 0 0 0 0 11 47 2 0 0 0 0 12 48 2 0 0 0 0 13 63 1 0 0 0 0 13115 1 0 0 0 0 14 64 1 0 0 0 0 14116 1 0 0 0 0 15 63 2 0 0 0 0 16 64 2 0 0 0 0 19 17 1 1 0 0 0 17 47 1 0 0 0 0 17 75 1 0 0 0 0 20 18 1 1 0 0 0 18 48 1 0 0 0 0 18 76 1 0 0 0 0 19 21 1 0 0 0 0 19 25 1 0 0 0 0 19 65 1 0 0 0 0 20 22 1 0 0 0 0 20 26 1 0 0 0 0 20 66 1 0 0 0 0 21 23 1 0 0 0 0 21 67 1 0 0 0 0 21 68 1 0 0 0 0 22 24 1 0 0 0 0 22 69 1 0 0 0 0 22 70 1 0 0 0 0 23 27 1 0 0 0 0 23 71 1 0 0 0 0 23 72 1 0 0 0 0 24 28 1 0 0 0 0 24 73 1 0 0 0 0 24 74 1 0 0 0 0 25 31 1 0 0 0 0 25 37 2 0 0 0 0 26 32 1 0 0 0 0 26 38 2 0 0 0 0 27 29 1 0 0 0 0 27 35 2 0 0 0 0 28 30 1 0 0 0 0 28 36 2 0 0 0 0 29 31 1 0 0 0 0 29 33 2 0 0 0 0 30 32 1 0 0 0 0 30 34 2 0 0 0 0 31 39 2 0 0 0 0 32 40 2 0 0 0 0 33 41 1 0 0 0 0 34 42 1 0 0 0 0 35 43 1 0 0 0 0 35 77 1 0 0 0 0 36 44 1 0 0 0 0 36 78 1 0 0 0 0 37 45 1 0 0 0 0 37 79 1 0 0 0 0 38 46 1 0 0 0 0 38 80 1 0 0 0 0 39 49 1 0 0 0 0 39 81 1 0 0 0 0 40 50 1 0 0 0 0 40 82 1 0 0 0 0 41 43 2 0 0 0 0 42 44 2 0 0 0 0 45 51 1 0 0 0 0 46 52 1 0 0 0 0 47 53 1 0 0 0 0 48 54 1 0 0 0 0 49 51 2 0 0 0 0 49 83 1 0 0 0 0 50 52 2 0 0 0 0 50 84 1 0 0 0 0 53 85 1 0 0 0 0 53 86 1 0 0 0 0 53 87 1 0 0 0 0 54 88 1 0 0 0 0 54 89 1 0 0 0 0 54 90 1 0 0 0 0 55 91 1 0 0 0 0 55 92 1 0 0 0 0 55 93 1 0 0 0 0 56 94 1 0 0 0 0 56 95 1 0 0 0 0 56 96 1 0 0 0 0 57 97 1 0 0 0 0 57 98 1 0 0 0 0 57 99 1 0 0 0 0 58100 1 0 0 0 0 58101 1 0 0 0 0 58102 1 0 0 0 0 59103 1 0 0 0 0 59104 1 0 0 0 0 59105 1 0 0 0 0 60106 1 0 0 0 0 60107 1 0 0 0 0 60108 1 0 0 0 0 61109 1 0 0 0 0 61110 1 0 0 0 0 61111 1 0 0 0 0 62112 1 0 0 0 0 62113 1 0 0 0 0 62114 1 0 0 0 0 63 64 1 0 0 0 0 M END > 53475898 > 1 > 811 > 16 > 4 > 11 > AAADcfB/PgAAAAAAAAAAAAAAAAAAAAAAAAAwYAAABgwAAAABQAAAHgAQCAAADCzBmAYyDoLABgCIAqHSGAKCCAAgIAAAiIBOiMgNJyKEsR6EMCIl1hWLqYeQ8P8OoAABCAAYQABAAAIQADCAAAAAAAAAAA== > oxalic acid;N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide > oxalic acid;N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide > oxalic acid;N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide > oxalic acid;N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide > ethanedioic acid;N-[(7S)-1,2,3,10-tetramethoxy-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-7-yl]ethanamide > N-[(7S)-9-keto-1,2,3,10-tetramethoxy-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide;oxalic acid > InChI=1S/2C22H25NO6.C2H2O4/c2*1-12(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;3-1(4)2(5)6/h2*7,9-11,16H,6,8H2,1-5H3,(H,23,24);(H,3,4)(H,5,6)/t2*16-;/m00./s1 > PSVCQWWQZMIIOS-WUBQCMAVSA-N > 888.33168358 > C46H52N2O16 > 888.9 > CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC.CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC.C(=O)(C(=O)O)O > CC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC.CC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC.C(=O)(C(=O)O)O > 241 > 888.33168358 > 0 > 64 > 2 > 0 > 0 > 0 > 0 > 3 > -1 > 1 5 255 > 19 17 5 20 18 5 25 31 8 25 37 8 26 32 8 26 38 8 27 29 8 27 35 8 28 30 8 28 36 8 29 33 8 30 34 8 31 39 8 32 40 8 33 41 8 34 42 8 35 43 8 36 44 8 37 45 8 38 46 8 39 49 8 40 50 8 41 43 8 42 44 8 45 51 8 46 52 8 49 51 8 50 52 8 $$$$