70293822 -OEChem-04252409012D 66 68 0 1 0 0 0 0 0999 V2000 5.2737 1.6200 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.0678 9.2791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1837 5.8727 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9338 9.7791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8427 9.7574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6822 9.8137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4037 6.7550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5194 9.8568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4075 9.8032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1398 2.1200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1854 5.7445 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5357 8.3066 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0678 7.2791 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7998 7.2791 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9338 6.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0678 8.2791 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1738 6.7444 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6938 6.7444 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7998 8.2791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9338 8.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1738 8.8138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5998 7.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2678 7.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6938 8.8138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2678 8.2999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5998 8.2999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1838 5.8843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5310 6.7014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3252 5.2345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0572 5.2546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5310 8.8568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4037 8.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4748 7.2366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4748 8.3216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4077 2.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2737 0.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0743 6.4291 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7933 6.4291 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5353 6.3042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3323 6.3042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6399 6.4293 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6505 6.2004 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8676 5.3509 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7171 5.5681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6693 9.7540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8675 5.3394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5238 6.0814 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0090 5.7678 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7919 4.9183 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6414 4.7012 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7534 4.7141 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5976 4.9508 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3609 5.7950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2334 9.8721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2155 10.1299 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0105 6.9245 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0105 8.6337 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 8.6187 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5333 7.6866 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0528 10.1730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7177 2.6569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8708 2.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0977 1.5831 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6537 0.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2737 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8937 0.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 2 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 16 2 1 6 0 0 0 2 45 1 0 0 0 0 18 3 1 1 0 0 0 3 46 1 0 0 0 0 4 20 2 0 0 0 0 5 21 1 0 0 0 0 5 54 1 0 0 0 0 6 24 1 0 0 0 0 6 55 1 0 0 0 0 7 23 2 0 0 0 0 8 31 1 0 0 0 0 8 60 1 0 0 0 0 9 32 2 0 0 0 0 17 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 58 1 0 0 0 0 12 59 1 0 0 0 0 13 15 1 0 0 0 0 13 16 1 0 0 0 0 13 17 1 0 0 0 0 13 37 1 6 0 0 0 14 15 1 0 0 0 0 14 18 1 0 0 0 0 14 19 1 0 0 0 0 14 38 1 6 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 16 20 1 0 0 0 0 16 21 1 0 0 0 0 17 23 1 0 0 0 0 17 41 1 0 0 0 0 18 22 1 0 0 0 0 18 27 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 21 25 2 0 0 0 0 22 26 2 0 0 0 0 22 28 1 0 0 0 0 23 25 1 0 0 0 0 24 26 1 0 0 0 0 25 32 1 0 0 0 0 26 31 1 0 0 0 0 27 42 1 0 0 0 0 27 43 1 0 0 0 0 27 44 1 0 0 0 0 28 33 2 0 0 0 0 28 47 1 0 0 0 0 29 48 1 0 0 0 0 29 49 1 0 0 0 0 29 50 1 0 0 0 0 30 51 1 0 0 0 0 30 52 1 0 0 0 0 30 53 1 0 0 0 0 31 34 2 0 0 0 0 33 34 1 0 0 0 0 33 56 1 0 0 0 0 34 57 1 0 0 0 0 35 61 1 0 0 0 0 35 62 1 0 0 0 0 35 63 1 0 0 0 0 36 64 1 0 0 0 0 36 65 1 0 0 0 0 36 66 1 0 0 0 0 M END > 70293822 > 1 > 1000 > 11 > 6 > 2 > AAADceB7PABAAAAAAAAAAAAAAAAAAAAAAAAwYIEAAAAAAACBAAAAHgQQCAAADWzBmASyBoNAAgqIAqFSEEKCAAAgIAAIiAHOCMgJJz6KkTKEcAAn4BEJmQf+/veugAABAAAYAADAAAYAADAAAAAAAAAAAA== > (4S,4aS,5aS,6S,12aR)-4-(dimethylamino)-1,6,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide;methylsulfinylmethane > (4S,4aS,5aS,6S,12aR)-4-(dimethylamino)-1,6,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide;methylsulfinylmethane > (4S,4aS,5aS,6S,12aR)-4-(dimethylamino)-1,6,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide;methylsulfinylmethane > (4S,4aS,5aS,6S,12aR)-4-(dimethylamino)-1,6,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide;methylsulfinylmethane > (4S,4aS,5aS,6S,12aR)-4-(dimethylamino)-6-methyl-1,6,10,11,12a-pentakis(oxidanyl)-3,12-bis(oxidanylidene)-4,4a,5,5a-tetrahydrotetracene-2-carboxamide;methylsulfinylmethane > (4S,4aS,5aS,6S,12aR)-4-(dimethylamino)-1,6,10,11,12a-pentahydroxy-3,12-diketo-6-methyl-4,4a,5,5a-tetrahydrotetracene-2-carboxamide;methylsulfinylmethane > InChI=1S/C22H24N2O8.C2H6OS/c1-21(31)8-5-4-6-11(25)12(8)16(26)13-9(21)7-10-15(24(2)3)17(27)14(20(23)30)19(29)22(10,32)18(13)28;1-4(2)3/h4-6,9-10,15,25-26,29,31-32H,7H2,1-3H3,(H2,23,30);1-2H3/t9-,10-,15-,21+,22-;/m0./s1 > HUBDRXPLJNGWKZ-FMZCEJRJSA-N > 522.16720171 > C24H30N2O9S > 522.6 > CC1(C2CC3C(C(=O)C(=C(C3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O.CS(=O)C > C[C@@]1([C@H]2C[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.CS(=O)C > 218 > 522.16720171 > 0 > 36 > 5 > 0 > 0 > 0 > 0 > 2 > -1 > 1 5 255 > 17 11 6 13 37 6 14 38 6 16 2 6 22 26 8 22 28 8 26 31 8 28 33 8 18 3 5 31 34 8 33 34 8 $$$$