54747605 -OEChem-04242408522D 64 66 0 1 0 0 0 0 0999 V2000 5.0053 0.8660 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.9338 8.1680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0678 4.6680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1837 8.0744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9338 4.1680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8427 4.1897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6822 4.1334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4037 7.1921 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5194 4.0903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4075 4.1438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8713 1.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1392 0.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5053 1.7320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5053 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1854 8.2026 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5357 5.6405 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0678 6.6680 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7998 6.6680 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9338 7.1680 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0678 5.6680 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1738 7.2026 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6938 7.2026 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7998 5.6680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9338 5.1680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1738 5.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5998 6.6888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2678 6.6888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6938 5.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2678 5.6472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1838 8.0628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5998 5.6472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5310 7.2457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3252 8.7126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0572 8.6925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5310 5.0902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4037 5.1438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4748 6.7105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4748 5.6255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0743 7.5180 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5392 6.2487 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4708 7.4780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6399 7.5178 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7171 8.3790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8676 8.5961 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6505 7.7466 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4707 8.4780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6692 4.1931 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8675 8.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5238 7.8657 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6414 9.2459 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7919 9.0287 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0090 8.1792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3609 8.1520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5976 8.9963 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7534 9.2330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2335 4.0750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2155 3.8172 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0105 7.0225 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0105 5.3134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 5.3284 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5333 6.2605 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0528 3.7741 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4082 1.0560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6023 0.6760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 1 13 2 0 0 0 0 1 14 2 0 0 0 0 19 2 1 1 0 0 0 2 46 1 0 0 0 0 20 3 1 1 0 0 0 3 47 1 0 0 0 0 22 4 1 6 0 0 0 4 48 1 0 0 0 0 5 24 2 0 0 0 0 6 25 1 0 0 0 0 6 56 1 0 0 0 0 7 28 1 0 0 0 0 7 57 1 0 0 0 0 8 27 2 0 0 0 0 9 35 1 0 0 0 0 9 62 1 0 0 0 0 10 36 2 0 0 0 0 11 63 1 0 0 0 0 12 64 1 0 0 0 0 21 15 1 1 0 0 0 15 33 1 0 0 0 0 15 34 1 0 0 0 0 16 36 1 0 0 0 0 16 60 1 0 0 0 0 16 61 1 0 0 0 0 17 19 1 0 0 0 0 17 20 1 0 0 0 0 17 21 1 0 0 0 0 17 39 1 1 0 0 0 18 19 1 0 0 0 0 18 22 1 0 0 0 0 18 23 1 0 0 0 0 18 40 1 1 0 0 0 19 41 1 0 0 0 0 20 24 1 0 0 0 0 20 25 1 0 0 0 0 21 27 1 0 0 0 0 21 42 1 0 0 0 0 22 26 1 0 0 0 0 22 30 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 25 29 2 0 0 0 0 26 31 2 0 0 0 0 26 32 1 0 0 0 0 27 29 1 0 0 0 0 28 31 1 0 0 0 0 29 36 1 0 0 0 0 30 43 1 0 0 0 0 30 44 1 0 0 0 0 30 45 1 0 0 0 0 31 35 1 0 0 0 0 32 37 2 0 0 0 0 32 49 1 0 0 0 0 33 50 1 0 0 0 0 33 51 1 0 0 0 0 33 52 1 0 0 0 0 34 53 1 0 0 0 0 34 54 1 0 0 0 0 34 55 1 0 0 0 0 35 38 2 0 0 0 0 37 38 1 0 0 0 0 37 58 1 0 0 0 0 38 59 1 0 0 0 0 M END > 54747605 > 1 > 1090 > 14 > 9 > 2 > AAADceB7PABAAAAAAAAAAAAAAAAAAAAAAAAwYIEAAAAAAACBAAAAHgAQCAAADXzhmAYyBoNAAoCIAqFSEDKCAAAgIAAIiAHOCMgJNz6KkTKEcAAn4BEJmQf+/veugAABAAAYAADAAAYQADAAAAAAAAAAAA== > (4S,4aR,5S,5aR,6S,12aR)-4-(dimethylamino)-1,5,6,10,11,12a-hexahydroxy-6-methyl-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide;sulfuric acid > (4S,4aR,5S,5aR,6S,12aR)-4-(dimethylamino)-1,5,6,10,11,12a-hexahydroxy-6-methyl-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide;sulfuric acid > (4S,4aR,5S,5aR,6S,12aR)-4-(dimethylamino)-1,5,6,10,11,12a-hexahydroxy-6-methyl-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide;sulfuric acid > (4S,4aR,5S,5aR,6S,12aR)-4-(dimethylamino)-1,5,6,10,11,12a-hexahydroxy-6-methyl-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide;sulfuric acid > (4S,4aR,5S,5aR,6S,12aR)-4-(dimethylamino)-6-methyl-1,5,6,10,11,12a-hexakis(oxidanyl)-3,12-bis(oxidanylidene)-4,4a,5,5a-tetrahydrotetracene-2-carboxamide;sulfuric acid > (4S,4aR,5S,5aR,6S,12aR)-4-(dimethylamino)-1,5,6,10,11,12a-hexahydroxy-3,12-diketo-6-methyl-4,4a,5,5a-tetrahydrotetracene-2-carboxamide;sulfuric acid > InChI=1S/C22H24N2O9.H2O4S/c1-21(32)7-5-4-6-8(25)9(7)15(26)10-12(21)17(28)13-14(24(2)3)16(27)11(20(23)31)19(30)22(13,33)18(10)29;1-5(2,3)4/h4-6,12-14,17,25-26,28,30,32-33H,1-3H3,(H2,23,31);(H2,1,2,3,4)/t12-,13-,14+,17+,21-,22+;/m1./s1 > FAQVDHDWHVMIMB-IFLJXUKPSA-N > 558.11556006 > C22H26N2O13S > 558.5 > CC1(C2C(C3C(C(=O)C(=C(C3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O)O.OS(=O)(=O)O > C[C@@]1([C@H]2[C@@H]([C@H]3[C@@H](C(=O)C(=C([C@]3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O)O.OS(=O)(=O)O > 285 > 558.11556006 > 0 > 38 > 6 > 0 > 0 > 0 > 0 > 2 > -1 > 1 5 255 > 21 15 5 17 39 5 18 40 5 19 2 5 26 31 8 26 32 8 20 3 5 31 35 8 32 37 8 35 38 8 37 38 8 22 4 6 $$$$