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0 0 0 0 0 0 0 8.6938 0.2043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6938 -1.8650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4037 -1.8545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5998 -0.3095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5998 -1.3511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3252 1.7143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0572 1.6942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6822 1.2043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5310 0.2474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5310 -1.9080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5424 1.7143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4748 -0.2878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4748 -1.3728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5308 2.7142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4141 1.2243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3910 3.2242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2743 1.7343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2628 2.7342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8039 -0.7553 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7149 0.5071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3969 0.4797 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7933 0.5197 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7302 -0.6185 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2714 -1.9711 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7578 -2.8672 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4707 1.4797 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8656 -0.1141 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6414 2.2476 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7919 2.0304 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0090 1.1809 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3609 1.1538 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5976 1.9980 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7534 2.2347 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1417 1.5080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5238 0.8674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.6699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5334 -0.7378 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2155 -3.1811 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0105 0.0242 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0105 -1.6849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0528 -3.2242 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9904 3.0180 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4213 0.6043 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3839 3.8441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8148 1.4305 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7961 3.0504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12 1 1 1 0 0 0 1 45 1 0 0 0 0 14 2 1 1 0 0 0 2 46 1 0 0 0 0 3 16 1 0 0 0 0 3 47 1 0 0 0 0 4 18 2 0 0 0 0 5 19 2 0 0 0 0 6 22 1 0 0 0 0 6 58 1 0 0 0 0 7 23 2 0 0 0 0 8 30 1 0 0 0 0 8 61 1 0 0 0 0 13 9 1 1 0 0 0 9 26 1 0 0 0 0 9 27 1 0 0 0 0 10 23 1 0 0 0 0 10 56 1 0 0 0 0 10 57 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 11 39 1 1 0 0 0 12 18 1 0 0 0 0 12 19 1 0 0 0 0 13 16 1 0 0 0 0 13 40 1 0 0 0 0 14 15 1 0 0 0 0 14 41 1 0 0 0 0 15 20 1 0 0 0 0 15 21 1 0 0 0 0 15 42 1 1 0 0 0 16 17 1 0 0 0 0 16 43 1 0 0 0 0 17 18 1 0 0 0 0 17 23 1 0 0 0 0 17 44 1 0 0 0 0 19 20 1 0 0 0 0 20 22 2 0 0 0 0 21 24 1 0 0 0 0 21 28 2 0 0 0 0 22 25 1 0 0 0 0 24 25 2 0 0 0 0 24 29 1 0 0 0 0 25 30 1 0 0 0 0 26 48 1 0 0 0 0 26 49 1 0 0 0 0 26 50 1 0 0 0 0 27 51 1 0 0 0 0 27 52 1 0 0 0 0 27 53 1 0 0 0 0 28 31 1 0 0 0 0 28 54 1 0 0 0 0 29 32 2 0 0 0 0 29 55 1 0 0 0 0 30 33 2 0 0 0 0 31 34 2 0 0 0 0 31 35 1 0 0 0 0 32 33 1 0 0 0 0 32 59 1 0 0 0 0 33 60 1 0 0 0 0 34 36 1 0 0 0 0 34 62 1 0 0 0 0 35 37 2 0 0 0 0 35 63 1 0 0 0 0 36 38 2 0 0 0 0 36 64 1 0 0 0 0 37 38 1 0 0 0 0 37 65 1 0 0 0 0 38 66 1 0 0 0 0 M END > 59995534 > 1 > 1080 > 9 > 6 > 3 > AAADceB7PAAAAAAAAAAAAAAAAAAAAAAAAAAwYMGCAAAAAADBQAAAHgAQCAAADXzhmAYyBoNAAgCIAqFSEAICAAAgIAAIiAFOCMgKNz6KkRKEcAAn8BEYmQf+//fugAABAAAYAADCAAaUADQgAAAAAAAAAA== > (4S,4aR,5S,5aR,6Z,12aR)-6-benzylidene-4-(dimethylamino)-3,5,10,11,12a-pentahydroxy-1,12-dioxo-2,3,4,4a,5,5a-hexahydrotetracene-2-carboxamide > (4S,4aR,5S,5aR,6Z,12aR)-4-(dimethylamino)-3,5,10,11,12a-pentahydroxy-1,12-dioxo-6-(phenylmethylene)-2,3,4,4a,5,5a-hexahydrotetracene-2-carboxamide > (4S,4aR,5S,5aR,6Z,12aR)-6-benzylidene-4-(dimethylamino)-3,5,10,11,12a-pentahydroxy-1,12-dioxo-2,3,4,4a,5,5a-hexahydrotetracene-2-carboxamide > (4S,4aR,5S,5aR,6Z,12aR)-6-benzylidene-4-(dimethylamino)-3,5,10,11,12a-pentahydroxy-1,12-dioxo-2,3,4,4a,5,5a-hexahydrotetracene-2-carboxamide > (4S,4aR,5S,5aR,6Z,12aR)-4-(dimethylamino)-3,5,10,11,12a-pentakis(oxidanyl)-1,12-bis(oxidanylidene)-6-(phenylmethylidene)-2,3,4,4a,5,5a-hexahydrotetracene-2-carboxamide > (4S,4aR,5S,5aR,6Z,12aR)-6-benzal-4-(dimethylamino)-3,5,10,11,12a-pentahydroxy-1,12-diketo-2,3,4,4a,5,5a-hexahydrotetracene-2-carboxamide > InChI=1S/C28H28N2O8/c1-30(2)21-20-23(33)17-14(11-12-7-4-3-5-8-12)13-9-6-10-15(31)16(13)22(32)18(17)25(35)28(20,38)26(36)19(24(21)34)27(29)37/h3-11,17,19-21,23-24,31-34,38H,1-2H3,(H2,29,37)/b14-11+/t17-,19?,20-,21+,23+,24?,28+/m1/s1 > BXOPKMSWISSJBU-NACZMOFJSA-N > 1.5 > 520.18456586 > C28H28N2O8 > 520.5 > CN(C)C1C2C(C3C(=CC4=CC=CC=C4)C5=C(C(=CC=C5)O)C(=C3C(=O)C2(C(=O)C(C1O)C(=O)N)O)O)O > CN(C)[C@H]1[C@@H]2[C@H]([C@@H]3/C(=C/C4=CC=CC=C4)/C5=C(C(=CC=C5)O)C(=C3C(=O)[C@@]2(C(=O)C(C1O)C(=O)N)O)O)O > 182 > 520.18456586 > 0 > 38 > 5 > 2 > 1 > 0 > 0 > 1 > -1 > 1 5 255 > 12 1 5 11 39 5 15 42 5 17 23 3 14 2 5 24 25 8 24 29 8 25 30 8 29 32 8 16 3 3 30 33 8 31 34 8 31 35 8 32 33 8 34 36 8 35 37 8 36 38 8 37 38 8 13 9 5 $$$$