16069301 -OEChem-04242401372D 86 89 0 1 0 0 0 0 0999 V2000 3.9713 2.2443 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6547 1.0774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5002 1.9661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8872 3.9254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2956 5.7258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5977 7.5482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2829 18.2060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8810 19.7060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2111 13.2060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1489 19.7060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6130 11.7060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3450 11.7060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0371 6.7967 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7470 16.2060 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7470 15.2060 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4710 5.8957 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4710 5.8957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0945 5.1139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8475 5.1139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8720 4.1390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9710 3.7051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0701 4.1390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8772 2.6677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7416 3.5656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9610 5.5335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4534 3.3763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7333 2.0743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6718 2.5263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0791 5.1044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6005 7.6230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4726 3.3803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8621 4.1479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1666 8.5239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8850 1.2480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4788 0.5109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3994 2.4035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5925 2.9698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8810 16.7060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0149 18.2060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8810 17.7060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0149 16.2060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1489 17.7060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1489 16.7060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6130 14.7060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6130 13.7060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4790 13.2060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4790 15.2060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3450 13.7060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3450 14.7060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0149 19.2060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4790 12.2060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8009 6.4207 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0296 6.1648 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3331 6.5002 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6531 4.8449 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4811 5.5987 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4189 6.8430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2970 3.8410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9577 6.1535 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7194 2.8163 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2021 2.8224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7252 8.7929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8976 9.0825 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6080 8.2549 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2673 1.3015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8315 0.6303 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5027 1.1945 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1275 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9897 0.1597 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8300 1.0218 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6706 1.8459 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9570 2.6747 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1283 2.9611 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.1526 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4097 2.3774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1849 2.7871 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4179 18.0160 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0149 15.5860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6120 16.3960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2839 16.5160 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0761 13.3960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4790 15.8260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8820 15.0160 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7459 17.8960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8810 20.3260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6130 11.0860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 1 34 1 0 0 0 0 2 27 1 0 0 0 0 2 35 1 0 0 0 0 3 28 1 0 0 0 0 3 36 1 0 0 0 0 4 32 1 0 0 0 0 4 37 1 0 0 0 0 5 29 2 0 0 0 0 6 30 2 0 0 0 0 7 42 1 0 0 0 0 7 84 1 0 0 0 0 8 50 1 0 0 0 0 8 85 1 0 0 0 0 9 48 2 0 0 0 0 10 50 2 0 0 0 0 11 51 1 0 0 0 0 11 86 1 0 0 0 0 12 51 2 0 0 0 0 16 13 1 1 0 0 0 13 30 1 0 0 0 0 13 57 1 0 0 0 0 14 15 1 0 0 0 0 14 38 1 0 0 0 0 14 80 1 0 0 0 0 15 44 2 0 0 0 0 16 17 1 0 0 0 0 16 19 1 0 0 0 0 16 52 1 0 0 0 0 17 18 1 0 0 0 0 17 53 1 0 0 0 0 17 54 1 0 0 0 0 18 20 1 0 0 0 0 18 55 1 0 0 0 0 18 56 1 0 0 0 0 19 22 1 0 0 0 0 19 25 2 0 0 0 0 20 21 1 0 0 0 0 20 24 2 0 0 0 0 21 22 1 0 0 0 0 21 23 2 0 0 0 0 22 26 2 0 0 0 0 23 27 1 0 0 0 0 24 28 1 0 0 0 0 24 58 1 0 0 0 0 25 29 1 0 0 0 0 25 59 1 0 0 0 0 26 31 1 0 0 0 0 26 60 1 0 0 0 0 27 28 2 0 0 0 0 29 32 1 0 0 0 0 30 33 1 0 0 0 0 31 32 2 0 0 0 0 31 61 1 0 0 0 0 33 62 1 0 0 0 0 33 63 1 0 0 0 0 33 64 1 0 0 0 0 34 65 1 0 0 0 0 34 66 1 0 0 0 0 34 67 1 0 0 0 0 35 68 1 0 0 0 0 35 69 1 0 0 0 0 35 70 1 0 0 0 0 36 71 1 0 0 0 0 36 72 1 0 0 0 0 36 73 1 0 0 0 0 37 74 1 0 0 0 0 37 75 1 0 0 0 0 37 76 1 0 0 0 0 38 40 2 0 0 0 0 38 41 1 0 0 0 0 39 40 1 0 0 0 0 39 42 2 0 0 0 0 39 50 1 0 0 0 0 40 77 1 0 0 0 0 41 43 2 0 0 0 0 41 78 1 0 0 0 0 42 43 1 0 0 0 0 43 79 1 0 0 0 0 44 45 1 0 0 0 0 44 47 1 0 0 0 0 45 46 2 0 0 0 0 45 81 1 0 0 0 0 46 48 1 0 0 0 0 46 51 1 0 0 0 0 47 49 2 0 0 0 0 47 82 1 0 0 0 0 48 49 1 0 0 0 0 49 83 1 0 0 0 0 M END > 16069301 > 1 > 1330 > 14 > 5 > 9 > AAADcfB/PAAAAAAAAAAAAAAAAAAAAAAAAAAwYIAABggAAAABQAAAHgAYCAAADCzBmAYyzoLiBgCoA6XyWAKSDAAkIgAYiIFe7NgNJzaOtZ+EcWJl/hWK+Ye8+P+OoEABSAAYQABAgAKQADCAAAAAAAAAAA== > 5-[(2E)-2-(3-carboxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)hydrazino]-2-hydroxy-benzoic acid;N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide > 5-[(2E)-2-(3-carboxy-4-oxo-1-cyclohexa-2,5-dienylidene)hydrazinyl]-2-hydroxybenzoic acid;N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide > 5-[(2E)-2-(3-carboxy-4-oxocyclohexa-2,5-dien-1-ylidene)hydrazinyl]-2-hydroxybenzoic acid;N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide > 5-[(2E)-2-(3-carboxy-4-oxocyclohexa-2,5-dien-1-ylidene)hydrazinyl]-2-hydroxybenzoic acid;N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide > 5-[(2E)-2-(3-carboxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)hydrazinyl]-2-oxidanyl-benzoic acid;N-[(7S)-1,2,3,10-tetramethoxy-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-7-yl]ethanamide > 5-[(N'E)-N'-(3-carboxy-4-keto-cyclohexa-2,5-dien-1-ylidene)hydrazino]-2-hydroxy-benzoic acid;N-[(7S)-9-keto-1,2,3,10-tetramethoxy-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide > InChI=1S/C22H25NO6.C14H10N2O6/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;17-11-3-1-7(5-9(11)13(19)20)15-16-8-2-4-12(18)10(6-8)14(21)22/h7,9-11,16H,6,8H2,1-5H3,(H,23,24);1-6,15,17H,(H,19,20)(H,21,22)/b;16-8+/t16-;/m0./s1 > DLFUSXUZEDNYPS-MWRXPWMXSA-N > 701.22207356 > C36H35N3O12 > 701.7 > CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC.C1=CC(=C(C=C1NN=C2C=CC(=O)C(=C2)C(=O)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.C1=CC(=C(C=C1N/N=C/2\C=CC(=O)C(=C2)C(=O)O)C(=O)O)O > 219 > 701.22207356 > 0 > 51 > 1 > 0 > 1 > 0 > 0 > 2 > -1 > 1 5 255 > 16 13 5 19 22 8 19 25 8 20 21 8 20 24 8 21 23 8 22 26 8 23 27 8 24 28 8 25 29 8 26 31 8 27 28 8 29 32 8 31 32 8 38 40 8 38 41 8 39 40 8 39 42 8 41 43 8 42 43 8 $$$$