70166542 -OEChem-04262417182D 81 85 0 1 0 0 0 0 0999 V2000 5.1167 0.9516 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.9338 11.8892 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0678 8.3892 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1837 11.7956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9338 7.8892 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8427 7.9109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6822 7.8546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4037 10.9133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5194 7.8115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4075 7.8650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4273 3.5116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9267 0.3652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8093 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1854 11.9238 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5357 9.3617 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7003 1.7563 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0678 10.3892 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7998 10.3892 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9338 10.8892 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0678 9.3892 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1738 10.9238 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6938 10.9238 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7998 9.3892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9338 8.8892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1738 8.8545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5998 10.4100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2678 10.4100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6938 8.8545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2678 9.3683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1838 11.7840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5998 9.3683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5310 10.9669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3252 12.4337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0572 12.4137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5310 8.8114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4037 8.8650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4748 10.4317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4748 9.3467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1704 1.2563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1704 2.2563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1167 2.5610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3044 0.7563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3044 2.7563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4384 1.2563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4384 2.2563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4058 3.7178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7165 4.6683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6950 4.8745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0743 11.2391 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5392 9.9698 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4708 11.1992 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6399 11.2390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7171 12.1002 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8676 12.3173 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6505 11.4678 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4708 12.1992 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6692 7.9142 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8675 12.3289 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5238 11.5869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6414 12.9670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7919 12.7499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0090 11.9004 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3609 11.8732 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5976 12.7175 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7534 12.9542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2335 7.7962 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2155 7.5384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0105 10.7437 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0105 9.0346 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 9.0496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5333 9.9817 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0528 7.4953 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3044 0.1363 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3044 3.3763 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9015 0.9463 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9015 2.5663 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4264 3.0981 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0196 3.6304 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3024 5.1298 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1091 4.4131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8876 5.4639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 2 0 0 0 0 1 13 2 0 0 0 0 1 16 1 0 0 0 0 1 39 1 0 0 0 0 19 2 1 1 0 0 0 2 56 1 0 0 0 0 20 3 1 1 0 0 0 3 57 1 0 0 0 0 22 4 1 6 0 0 0 4 58 1 0 0 0 0 5 24 2 0 0 0 0 6 25 1 0 0 0 0 6 66 1 0 0 0 0 7 28 1 0 0 0 0 7 67 1 0 0 0 0 8 27 2 0 0 0 0 9 35 1 0 0 0 0 9 72 1 0 0 0 0 10 36 2 0 0 0 0 11 41 1 0 0 0 0 11 46 1 0 0 0 0 21 14 1 1 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 15 36 1 0 0 0 0 15 70 1 0 0 0 0 15 71 1 0 0 0 0 16 41 2 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 49 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 50 1 1 0 0 0 19 51 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 52 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 53 1 0 0 0 0 30 54 1 0 0 0 0 30 55 1 0 0 0 0 31 35 1 0 0 0 0 32 37 2 0 0 0 0 32 59 1 0 0 0 0 33 60 1 0 0 0 0 33 61 1 0 0 0 0 33 62 1 0 0 0 0 34 63 1 0 0 0 0 34 64 1 0 0 0 0 34 65 1 0 0 0 0 35 38 2 0 0 0 0 37 38 1 0 0 0 0 37 68 1 0 0 0 0 38 69 1 0 0 0 0 39 40 1 0 0 0 0 39 42 2 0 0 0 0 40 41 1 0 0 0 0 40 43 2 0 0 0 0 42 44 1 0 0 0 0 42 73 1 0 0 0 0 43 45 1 0 0 0 0 43 74 1 0 0 0 0 44 45 2 0 0 0 0 44 75 1 0 0 0 0 45 76 1 0 0 0 0 46 47 1 0 0 0 0 46 77 1 0 0 0 0 46 78 1 0 0 0 0 47 48 2 0 0 0 0 47 79 1 0 0 0 0 48 80 1 0 0 0 0 48 81 1 0 0 0 0 M END > 70166542 > 1 > 1380 > 14 > 7 > 5 > AAADcfB/PABAAAAAAAAAAAAAAAAAAQAAAAAwYMECAAAAAECBQAAAHgQQSAAADXzh2AYyB4NABgKoAqFyEHLCABAgIAAIiBnuCNgJN76KsTqGcAAn4BEJuQf+/veugAABAAAcAADAAAYQADgAAAAAAAAAAA== > (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;3-allyloxy-1,2-benzothiazole 1,1-dioxide > (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;3-prop-2-enoxy-1,2-benzothiazole 1,1-dioxide > (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;3-prop-2-enoxy-1,2-benzothiazole 1,1-dioxide > (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;3-prop-2-enoxy-1,2-benzothiazole 1,1-dioxide > (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;3-prop-2-enoxy-1,2-benzothiazole 1,1-dioxide > (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;3-allyloxy-1,2-benzothiazole 1,1-dioxide > InChI=1S/C22H24N2O9.C10H9NO3S/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;1-2-7-14-10-8-5-3-4-6-9(8)15(12,13)11-10/h4-6,12-14,17,25-26,28,30,32-33H,1-3H3,(H2,23,31);2-6H,1,7H2/t12-,13-,14+,17+,21-,22+;/m1./s1 > RCUJZWVSGRTYNY-IFLJXUKPSA-N > 683.17849467 > C32H33N3O12S > 683.7 > 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.C=CCOC1=NS(=O)(=O)C2=CC=CC=C21 > 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.C=CCOC1=NS(=O)(=O)C2=CC=CC=C21 > 266 > 683.17849467 > 0 > 48 > 6 > 0 > 0 > 0 > 0 > 2 > -1 > 1 5 255 > 21 14 5 17 49 5 18 50 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 39 40 8 39 42 8 22 4 6 40 43 8 42 44 8 43 45 8 44 45 8 $$$$