58461432 -OEChem-03282421132D 58 61 0 1 0 0 0 0 0999 V2000 6.9338 1.5434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0678 -1.9566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1838 1.4382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9338 -2.4566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8427 -2.4349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6822 -2.4912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6738 2.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4037 0.5675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5194 -2.5343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4075 -2.4808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8427 1.5216 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5357 -0.9841 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0678 0.0434 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7998 0.0434 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9338 0.5434 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0678 -0.9566 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6938 0.5780 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.1738 0.5780 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7998 -0.9566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9338 -1.4566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1738 -1.4913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5998 0.0642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2678 0.0642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6938 -1.4913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1837 1.4498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5998 -0.9774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2678 -0.9774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5310 0.6211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8600 1.7067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4943 2.2802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5310 -1.5344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4037 -1.4808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4748 0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4748 -0.9991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8039 -0.3816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7933 0.8934 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3969 0.8534 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6541 0.9701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6632 1.0568 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6540 1.8538 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5353 2.0183 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6692 -2.4315 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5638 1.4311 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5238 1.2411 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9747 2.3160 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2507 1.8214 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7453 1.0974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9646 1.8762 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8983 2.7505 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0240 2.6842 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2335 -2.5496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2155 -2.8074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9775 2.8505 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0105 0.3980 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0105 -1.3112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.2962 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5334 -0.3641 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0528 -2.8505 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15 1 1 6 0 0 0 1 41 1 0 0 0 0 16 2 1 6 0 0 0 2 42 1 0 0 0 0 3 17 1 0 0 0 0 3 43 1 0 0 0 0 4 20 2 0 0 0 0 5 21 1 0 0 0 0 5 51 1 0 0 0 0 6 24 1 0 0 0 0 6 52 1 0 0 0 0 7 25 1 0 0 0 0 7 53 1 0 0 0 0 8 23 2 0 0 0 0 9 31 1 0 0 0 0 9 58 1 0 0 0 0 10 32 2 0 0 0 0 18 11 1 6 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 12 32 1 0 0 0 0 12 56 1 0 0 0 0 12 57 1 0 0 0 0 13 15 1 0 0 0 0 13 16 1 0 0 0 0 13 18 1 0 0 0 0 13 35 1 6 0 0 0 14 15 1 0 0 0 0 14 17 1 0 0 0 0 14 19 1 0 0 0 0 14 36 1 6 0 0 0 15 37 1 0 0 0 0 16 20 1 0 0 0 0 16 21 1 0 0 0 0 17 22 1 0 0 0 0 17 25 1 0 0 0 0 18 23 1 0 0 0 0 18 38 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 21 27 2 0 0 0 0 22 26 2 0 0 0 0 22 28 1 0 0 0 0 23 27 1 0 0 0 0 24 26 1 0 0 0 0 25 39 1 0 0 0 0 25 40 1 0 0 0 0 26 31 1 0 0 0 0 27 32 1 0 0 0 0 28 33 2 0 0 0 0 28 44 1 0 0 0 0 29 45 1 0 0 0 0 29 46 1 0 0 0 0 29 47 1 0 0 0 0 30 48 1 0 0 0 0 30 49 1 0 0 0 0 30 50 1 0 0 0 0 31 34 2 0 0 0 0 33 34 1 0 0 0 0 33 54 1 0 0 0 0 34 55 1 0 0 0 0 M END > 58461432 > 1 > 1020 > 11 > 8 > 3 > AAADceB7PAAAAAAAAAAAAAAAAAAAAAAAAAAwYIEAAAAAAACBAAAAHgAQCAAADXzhmAYyBoNAAgCIAqFSEAKCAAAgIAAIiAHOCMgJNz6KkTKEcAAn4BEJmQf+/veugAABAAAYAADAAAYQADAAAAAAAAAAAA== > (4R,4aS,5R,5aS,12aS)-4-(dimethylamino)-1,5,6,10,11,12a-hexahydroxy-6-(hydroxymethyl)-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide > (4R,4aS,5R,5aS,12aS)-4-(dimethylamino)-1,5,6,10,11,12a-hexahydroxy-6-(hydroxymethyl)-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide > (4R,4aS,5R,5aS,12aS)-4-(dimethylamino)-1,5,6,10,11,12a-hexahydroxy-6-(hydroxymethyl)-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide > (4R,4aS,5R,5aS,12aS)-4-(dimethylamino)-1,5,6,10,11,12a-hexahydroxy-6-(hydroxymethyl)-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide > (4R,4aS,5R,5aS,12aS)-4-(dimethylamino)-6-(hydroxymethyl)-1,5,6,10,11,12a-hexakis(oxidanyl)-3,12-bis(oxidanylidene)-4,4a,5,5a-tetrahydrotetracene-2-carboxamide > (4R,4aS,5R,5aS,12aS)-4-(dimethylamino)-1,5,6,10,11,12a-hexahydroxy-3,12-diketo-6-methylol-4,4a,5,5a-tetrahydrotetracene-2-carboxamide > InChI=1S/C22H24N2O10/c1-24(2)14-13-17(29)12-10(18(30)22(13,34)19(31)11(16(14)28)20(23)32)15(27)9-7(21(12,33)6-25)4-3-5-8(9)26/h3-5,12-14,17,25-27,29,31,33-34H,6H2,1-2H3,(H2,23,32)/t12-,13-,14+,17+,21?,22+/m0/s1 > GXSXBKIOOBYKBW-GBUIDMNKSA-N > -2.6 > 476.14309497 > C22H24N2O10 > 476.4 > CN(C)C1C2C(C3C(=C(C4=C(C3(CO)O)C=CC=C4O)O)C(=O)C2(C(=C(C1=O)C(=O)N)O)O)O > CN(C)[C@@H]1[C@H]2[C@@H]([C@@H]3C(=C(C4=C(C3(CO)O)C=CC=C4O)O)C(=O)[C@]2(C(=C(C1=O)C(=O)N)O)O)O > 222 > 476.14309497 > 0 > 34 > 5 > 1 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 15 1 6 18 11 6 13 35 6 14 36 6 16 2 6 22 26 8 22 28 8 26 31 8 28 33 8 17 3 3 31 34 8 33 34 8 $$$$