54747608 -OEChem-04252423282D 66 68 0 1 0 0 0 0 0999 V2000 4.9338 8.4109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0678 4.9109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1837 8.3173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9338 4.4109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8427 4.4326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6822 4.3763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4037 7.4350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5194 4.3332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4075 4.3867 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3043 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7062 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5723 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1854 8.4455 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5357 5.8834 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0678 6.9109 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7998 6.9109 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9338 7.4109 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0678 5.9109 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1738 7.4455 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6938 7.4455 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7998 5.9109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9338 5.4109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1738 5.3762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5998 6.9317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2678 6.9317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6938 5.3762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2678 5.8900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1838 8.3057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5998 5.8900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5310 7.4886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3252 8.9554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0572 8.9354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5310 5.3331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4037 5.3867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4748 6.9534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4748 5.8684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4383 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5723 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0743 7.7608 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5392 6.4916 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4708 7.7209 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6399 7.7607 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7171 8.6219 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8676 8.8390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6505 7.9895 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4708 8.7209 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6692 4.4359 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8675 8.8506 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5238 8.1086 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6414 9.4888 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7919 9.2716 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0090 8.4221 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3609 8.3949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5976 9.2392 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7534 9.4759 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2335 4.3179 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2155 4.0601 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0105 7.2654 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0105 5.5563 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 5.5713 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5333 6.5034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0528 4.0170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8368 1.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0398 1.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8412 1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1693 1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17 1 1 1 0 0 0 1 46 1 0 0 0 0 18 2 1 1 0 0 0 2 47 1 0 0 0 0 20 3 1 6 0 0 0 3 48 1 0 0 0 0 4 22 2 0 0 0 0 5 23 1 0 0 0 0 5 56 1 0 0 0 0 6 26 1 0 0 0 0 6 57 1 0 0 0 0 7 25 2 0 0 0 0 8 33 1 0 0 0 0 8 62 1 0 0 0 0 9 34 2 0 0 0 0 10 37 1 0 0 0 0 10 65 1 0 0 0 0 11 38 1 0 0 0 0 11 66 1 0 0 0 0 12 38 2 0 0 0 0 19 13 1 1 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 14 34 1 0 0 0 0 14 60 1 0 0 0 0 14 61 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 15 19 1 0 0 0 0 15 39 1 1 0 0 0 16 17 1 0 0 0 0 16 20 1 0 0 0 0 16 21 1 0 0 0 0 16 40 1 1 0 0 0 17 41 1 0 0 0 0 18 22 1 0 0 0 0 18 23 1 0 0 0 0 19 25 1 0 0 0 0 19 42 1 0 0 0 0 20 24 1 0 0 0 0 20 28 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 23 27 2 0 0 0 0 24 29 2 0 0 0 0 24 30 1 0 0 0 0 25 27 1 0 0 0 0 26 29 1 0 0 0 0 27 34 1 0 0 0 0 28 43 1 0 0 0 0 28 44 1 0 0 0 0 28 45 1 0 0 0 0 29 33 1 0 0 0 0 30 35 2 0 0 0 0 30 49 1 0 0 0 0 31 50 1 0 0 0 0 31 51 1 0 0 0 0 31 52 1 0 0 0 0 32 53 1 0 0 0 0 32 54 1 0 0 0 0 32 55 1 0 0 0 0 33 36 2 0 0 0 0 35 36 1 0 0 0 0 35 58 1 0 0 0 0 36 59 1 0 0 0 0 37 38 1 0 0 0 0 37 63 1 0 0 0 0 37 64 1 0 0 0 0 M END > 54747608 > 1 > 1040 > 13 > 9 > 3 > 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;2-hydroxyacetic 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;2-hydroxyacetic 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;2-hydroxyacetic 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;2-hydroxyacetic 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;2-oxidanylethanoic 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;glycolic acid > InChI=1S/C22H24N2O9.C2H4O3/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;3-1-2(4)5/h4-6,12-14,17,25-26,28,30,32-33H,1-3H3,(H2,23,31);3H,1H2,(H,4,5)/t12-,13-,14+,17+,21-,22+;/m1./s1 > VNWDCRAHCFICLG-IFLJXUKPSA-N > 536.16422433 > C24H28N2O12 > 536.5 > 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.C(C(=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.C(C(=O)O)O > 259 > 536.16422433 > 0 > 38 > 6 > 0 > 0 > 0 > 0 > 2 > -1 > 1 5 255 > 17 1 5 19 13 5 15 39 5 16 40 5 18 2 5 24 29 8 24 30 8 29 33 8 20 3 6 30 35 8 33 36 8 35 36 8 $$$$