54747611 -OEChem-05052418152D 65 67 0 1 0 0 0 0 0999 V2000 4.9338 4.3939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0678 0.8939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1837 4.3003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9338 0.3939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8427 0.4156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6822 0.3593 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4037 3.4180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5194 0.3162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4075 0.3697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8713 9.0149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0053 7.5149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1854 4.4284 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5357 1.8664 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0678 2.8939 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7998 2.8939 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9338 3.3939 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0678 1.8939 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1738 3.4285 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6938 3.4285 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7998 1.8939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9338 1.3939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1738 1.3592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5998 2.9147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2678 2.9147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6938 1.3592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2678 1.8730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1838 4.2887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5998 1.8730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5310 3.4716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3252 4.9384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0572 4.9184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5310 1.3161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4037 1.3697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4748 2.9364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4748 1.8514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1392 9.0149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0053 8.5149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8039 2.4689 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7933 3.7438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3969 3.7039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7149 3.7312 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7171 4.6049 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8676 4.8220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6505 3.9725 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4707 4.7039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6692 0.4189 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8675 4.8336 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5238 4.0916 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6414 5.4718 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7919 5.2546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0090 4.4051 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3609 4.3779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5976 5.2222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7534 5.4589 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2335 0.3009 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2155 0.0431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0105 3.2484 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0105 1.5393 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.5543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5333 2.4864 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0528 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4492 9.5518 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6023 9.3249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8292 8.4780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4082 8.7049 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16 1 1 1 0 0 0 1 45 1 0 0 0 0 17 2 1 1 0 0 0 2 46 1 0 0 0 0 19 3 1 6 0 0 0 3 47 1 0 0 0 0 4 21 2 0 0 0 0 5 22 1 0 0 0 0 5 55 1 0 0 0 0 6 25 1 0 0 0 0 6 56 1 0 0 0 0 7 24 2 0 0 0 0 8 32 1 0 0 0 0 8 61 1 0 0 0 0 9 33 2 0 0 0 0 10 37 1 0 0 0 0 10 65 1 0 0 0 0 11 37 2 0 0 0 0 18 12 1 1 0 0 0 12 30 1 0 0 0 0 12 31 1 0 0 0 0 13 33 1 0 0 0 0 13 59 1 0 0 0 0 13 60 1 0 0 0 0 14 16 1 0 0 0 0 14 17 1 0 0 0 0 14 18 1 0 0 0 0 14 38 1 1 0 0 0 15 16 1 0 0 0 0 15 19 1 0 0 0 0 15 20 1 0 0 0 0 15 39 1 1 0 0 0 16 40 1 0 0 0 0 17 21 1 0 0 0 0 17 22 1 0 0 0 0 18 24 1 0 0 0 0 18 41 1 0 0 0 0 19 23 1 0 0 0 0 19 27 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 22 26 2 0 0 0 0 23 28 2 0 0 0 0 23 29 1 0 0 0 0 24 26 1 0 0 0 0 25 28 1 0 0 0 0 26 33 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 32 1 0 0 0 0 29 34 2 0 0 0 0 29 48 1 0 0 0 0 30 49 1 0 0 0 0 30 50 1 0 0 0 0 30 51 1 0 0 0 0 31 52 1 0 0 0 0 31 53 1 0 0 0 0 31 54 1 0 0 0 0 32 35 2 0 0 0 0 34 35 1 0 0 0 0 34 57 1 0 0 0 0 35 58 1 0 0 0 0 36 37 1 0 0 0 0 36 62 1 0 0 0 0 36 63 1 0 0 0 0 36 64 1 0 0 0 0 M END > 54747611 > 1 > 1030 > 12 > 8 > 2 > AAADceB7PAAAAAAAAAAAAAAAAAAAAAAAAAAwYIEAAAAAAACBAAAAHgAQCAAADXzhmAYyDoNAAgCIAqHSGAKCAAAgIAAIiAHOCMgJNz6KkTKEcAAn4BEJmQf+/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;acetic 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;acetic 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;acetic 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;acetic 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;ethanoic 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;acetic acid > InChI=1S/C22H24N2O9.C2H4O2/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(3)4/h4-6,12-14,17,25-26,28,30,32-33H,1-3H3,(H2,23,31);1H3,(H,3,4)/t12-,13-,14+,17+,21-,22+;/m1./s1 > VXBIDBBZXPXYBD-IFLJXUKPSA-N > 520.16930971 > C24H28N2O11 > 520.5 > CC(=O)O.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 > CC(=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 > 239 > 520.16930971 > 0 > 37 > 6 > 0 > 0 > 0 > 0 > 2 > -1 > 1 5 255 > 16 1 5 18 12 5 14 38 5 15 39 5 17 2 5 23 28 8 23 29 8 28 32 8 29 34 8 19 3 6 32 35 8 34 35 8 $$$$