54747606 -OEChem-04252412282D 62 64 0 1 0 0 0 0 0999 V2000 4.9338 7.9370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0678 4.4370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1837 7.8434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9338 3.9370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8427 3.9588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4037 6.9612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6822 3.9024 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 8.5194 3.8593 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4075 3.9129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1392 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8713 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0053 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1854 7.9716 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5357 5.4095 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0053 1.0000 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.0678 6.4370 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7998 6.4370 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9338 6.9370 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0678 5.4370 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1738 6.9717 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6938 6.9717 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7998 5.4370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9338 4.9370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1738 4.9023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5998 6.4578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2678 6.4578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6938 4.9023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2678 5.4162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1838 7.8318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5998 5.4162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5310 7.0147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3252 8.4816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0572 8.4616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5310 4.8593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4037 4.9128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4748 6.4795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4748 5.3945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0743 7.2870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5392 6.0177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4708 7.2470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6399 7.2868 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7171 8.1480 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8676 8.3652 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6505 7.5157 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4707 8.2470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6692 3.9621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8675 8.3767 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5238 7.6347 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6414 9.0149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7919 8.7978 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0090 7.9483 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3609 7.9211 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5976 8.7653 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7534 9.0020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2335 3.8440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0105 6.7916 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0105 5.0824 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 5.0974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5333 6.0295 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0528 3.5431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6023 1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4082 1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18 1 1 1 0 0 0 1 45 1 0 0 0 0 19 2 1 1 0 0 0 2 46 1 0 0 0 0 21 3 1 6 0 0 0 3 47 1 0 0 0 0 4 23 2 0 0 0 0 5 24 1 0 0 0 0 5 55 1 0 0 0 0 6 26 2 0 0 0 0 7 27 1 0 0 0 0 8 34 1 0 0 0 0 8 60 1 0 0 0 0 9 35 2 0 0 0 0 10 15 1 0 0 0 0 10 61 1 0 0 0 0 11 15 1 0 0 0 0 11 62 1 0 0 0 0 12 15 2 0 0 0 0 20 13 1 1 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 14 35 1 0 0 0 0 14 58 1 0 0 0 0 14 59 1 0 0 0 0 16 18 1 0 0 0 0 16 19 1 0 0 0 0 16 20 1 0 0 0 0 16 38 1 1 0 0 0 17 18 1 0 0 0 0 17 21 1 0 0 0 0 17 22 1 0 0 0 0 17 39 1 1 0 0 0 18 40 1 0 0 0 0 19 23 1 0 0 0 0 19 24 1 0 0 0 0 20 26 1 0 0 0 0 20 41 1 0 0 0 0 21 25 1 0 0 0 0 21 29 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 24 28 2 0 0 0 0 25 30 2 0 0 0 0 25 31 1 0 0 0 0 26 28 1 0 0 0 0 27 30 1 0 0 0 0 28 35 1 0 0 0 0 29 42 1 0 0 0 0 29 43 1 0 0 0 0 29 44 1 0 0 0 0 30 34 1 0 0 0 0 31 36 2 0 0 0 0 31 48 1 0 0 0 0 32 49 1 0 0 0 0 32 50 1 0 0 0 0 32 51 1 0 0 0 0 33 52 1 0 0 0 0 33 53 1 0 0 0 0 33 54 1 0 0 0 0 34 37 2 0 0 0 0 36 37 1 0 0 0 0 36 56 1 0 0 0 0 37 57 1 0 0 0 0 M CHG 2 7 -1 15 1 M END > 54747606 > 1 > 1030 > 13 > 8 > 2 > AAADceB7PAAAAAAAAAAAAAAAAAAAAAAAAAAwYIEAAAAAAACBAAAAHgAUCAAADXzhmAYyBoNAQgCJAqFSEQKCAAAgIAAIiAHOCMgJNz6KkTKEcAAn4BEJmQf+/veugAABAAAYAADAAAYQADAAAAAAAAAAAA== > (6aR,10S,10aR,11S,11aR,12S)-8-carbamoyl-10-(dimethylamino)-4,6a,7,11,12-pentahydroxy-12-methyl-6,9-dioxo-10,10a,11,11a-tetrahydrotetracen-5-olate;dihydroxy(oxo)ammonium > (6aR,10S,10aR,11S,11aR,12S)-8-carbamoyl-10-(dimethylamino)-4,6a,7,11,12-pentahydroxy-12-methyl-6,9-dioxo-10,10a,11,11a-tetrahydrotetracen-5-olate;dihydroxy(oxo)ammonium > (6aR,10S,10aR,11S,11aR,12S)-8-carbamoyl-10-(dimethylamino)-4,6a,7,11,12-pentahydroxy-12-methyl-6,9-dioxo-10,10a,11,11a-tetrahydrotetracen-5-olate;dihydroxy(oxo)azanium > (6aR,10S,10aR,11S,11aR,12S)-8-carbamoyl-10-(dimethylamino)-4,6a,7,11,12-pentahydroxy-12-methyl-6,9-dioxo-10,10a,11,11a-tetrahydrotetracen-5-olate;dihydroxy(oxo)azanium > (6aR,10S,10aR,11S,11aR,12S)-8-aminocarbonyl-10-(dimethylamino)-12-methyl-4,6a,7,11,12-pentakis(oxidanyl)-6,9-bis(oxidanylidene)-10,10a,11,11a-tetrahydrotetracen-5-olate;bis(oxidanyl)-oxidanylidene-azanium > (6aR,10S,10aR,11S,11aR,12S)-8-carbamoyl-10-(dimethylamino)-4,6a,7,11,12-pentahydroxy-6,9-diketo-12-methyl-10,10a,11,11a-tetrahydrotetracen-5-olate;dihydroxy(keto)ammonium > InChI=1S/C22H24N2O9.H2NO3/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;2-1(3)4/h4-6,12-14,17,25-26,28,30,32-33H,1-3H3,(H2,23,31);(H2,2,3,4)/q;+1/p-1/t12-,13-,14+,17+,21-,22+;/m1./s1 > LAZKAXZZHBIHRJ-IFLJXUKPSA-M > 523.14382324 > C22H25N3O12 > 523.4 > 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.[N+](=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.[N+](=O)(O)O > 265 > 523.14382324 > 0 > 37 > 6 > 0 > 0 > 0 > 0 > 2 > -1 > 1 5 255 > 18 1 5 20 13 5 16 38 5 17 39 5 19 2 5 25 30 8 25 31 8 21 3 6 30 34 8 31 36 8 34 37 8 36 37 8 $$$$