54686003 -OEChem-03192406052D 57 60 0 1 0 0 0 0 0999 V2000 6.9338 1.9246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0678 -1.5754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1837 1.8310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9338 -2.0754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8427 -2.0536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6822 -2.1100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4037 0.9488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5194 -2.1530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4075 -2.0995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1854 1.9592 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5357 -0.6029 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0678 0.4246 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.7998 0.4246 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.9338 0.9246 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.0678 -0.5754 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.1738 0.9593 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.6938 0.9593 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.7998 -0.5754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9338 -1.0754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1738 -1.1100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5998 0.4455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2678 0.4455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6938 -1.1100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2678 -0.5962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1838 1.8195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5998 -0.5962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5310 1.0024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3252 2.4692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0572 2.4492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5310 -1.1531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4037 -1.0995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4748 0.4671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4748 -0.6179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6047 0.1146 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7950 1.0446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3969 1.2346 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7149 1.2620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7171 2.1357 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8676 2.3528 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6505 1.5033 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4707 2.2346 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6692 -2.0503 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8675 2.3644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5238 1.6223 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6414 3.0025 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7919 2.7854 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0090 1.9359 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3609 1.9087 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5976 2.7530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7534 2.9897 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2335 -2.1684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2155 -2.4261 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0105 0.7792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0105 -0.9299 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.9149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5334 0.0171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0528 -2.4692 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 41 1 0 0 0 0 2 15 1 0 0 0 0 2 42 1 0 0 0 0 3 17 1 0 0 0 0 3 43 1 0 0 0 0 4 19 2 0 0 0 0 5 20 1 0 0 0 0 5 51 1 0 0 0 0 6 23 1 0 0 0 0 6 52 1 0 0 0 0 7 22 2 0 0 0 0 8 30 1 0 0 0 0 8 57 1 0 0 0 0 9 31 2 0 0 0 0 10 16 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 11 31 1 0 0 0 0 11 55 1 0 0 0 0 11 56 1 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 12 16 1 0 0 0 0 12 34 1 0 0 0 0 13 14 1 0 0 0 0 13 17 1 0 0 0 0 13 18 1 0 0 0 0 13 35 1 0 0 0 0 14 36 1 0 0 0 0 15 19 1 0 0 0 0 15 20 1 0 0 0 0 16 22 1 0 0 0 0 16 37 1 0 0 0 0 17 21 1 0 0 0 0 17 25 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 20 24 2 0 0 0 0 21 26 2 0 0 0 0 21 27 1 0 0 0 0 22 24 1 0 0 0 0 23 26 1 0 0 0 0 24 31 1 0 0 0 0 25 38 1 0 0 0 0 25 39 1 0 0 0 0 25 40 1 0 0 0 0 26 30 1 0 0 0 0 27 32 2 0 0 0 0 27 44 1 0 0 0 0 28 45 1 0 0 0 0 28 46 1 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 33 2 0 0 0 0 32 33 1 0 0 0 0 32 53 1 0 0 0 0 33 54 1 0 0 0 0 M END > 54686003 > 1 > 1000 > 10 > 7 > 2 > AAADceB7PAAAAAAAAAAAAAAAAAAAAAAAAAAwYIEAAAAAAACBAAAAHgAQCAAADXzhmAYyBoNAAgCIAqFSEAKCAAAgIAAIiAHOCMgJNz6KkTKEcAAn4BEJmQf+/veugAABAAAYAADAAAYQADAAAAAAAAAAAA== > 4-(dimethylamino)-1,5,6,10,11,12a-hexahydroxy-6-methyl-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide > 4-(dimethylamino)-1,5,6,10,11,12a-hexahydroxy-6-methyl-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide > 4-(dimethylamino)-1,5,6,10,11,12a-hexahydroxy-6-methyl-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide > 4-(dimethylamino)-1,5,6,10,11,12a-hexahydroxy-6-methyl-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide > 4-(dimethylamino)-6-methyl-1,5,6,10,11,12a-hexakis(oxidanyl)-3,12-bis(oxidanylidene)-4,4a,5,5a-tetrahydrotetracene-2-carboxamide > 4-(dimethylamino)-1,5,6,10,11,12a-hexahydroxy-3,12-diketo-6-methyl-4,4a,5,5a-tetrahydrotetracene-2-carboxamide > InChI=1S/C22H24N2O9/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/h4-6,12-14,17,25-26,28,30,32-33H,1-3H3,(H2,23,31) > OWFJMIVZYSDULZ-UHFFFAOYSA-N > -1.6 > 460.14818035 > C22H24N2O9 > 460.4 > 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 > 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 > 202 > 460.14818035 > 0 > 33 > 0 > 6 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 14 1 3 16 10 3 12 14 3 13 18 3 15 2 3 21 26 8 21 27 8 26 30 8 27 32 8 17 3 3 30 33 8 32 33 8 $$$$