71627301 -OEChem-05102408292D 114120 0 1 0 0 0 0 0999 V2000 10.6603 0.7943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 0.7943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 2.7943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0177 -2.6452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.7943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.7943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.2057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5851 -3.7945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1410 0.7799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.7943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3167 -3.7545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8889 0.8347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9359 -3.2342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.7943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7255 0.8990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 3.7943 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 10.6603 2.7943 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.7942 2.2943 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5263 2.2943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5043 -1.7716 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.5263 1.2943 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7942 1.2943 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.3923 -0.2057 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4922 -0.7300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4162 -2.2749 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.2924 -0.7300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3039 -1.7300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5044 -1.7870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 2.2943 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9282 0.7943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.2943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6603 3.7943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 4.7943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.2943 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1962 0.7943 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3301 2.2943 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.1526 -0.2200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1757 -2.2199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4394 -3.2746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0243 -0.7100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9911 -0.9288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0359 -1.7099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.7943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.2943 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.9120 -0.1650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.2943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9359 -2.2342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.7943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.2943 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8660 1.2943 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.8240 -0.6684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8360 -1.7099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6083 -4.7943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.7943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7486 -0.1007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7735 -2.2560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6985 -0.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7111 -1.7099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 3.1043 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2573 1.9843 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1369 2.1866 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7383 2.8769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 0.6743 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 0.6743 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8548 0.1032 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0403 3.7943 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2765 -0.1488 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8827 -0.8432 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8860 -2.5962 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9251 -2.0080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6215 -2.3958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 2.9143 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6182 1.3312 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3913 0.4843 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2382 0.2573 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2742 0.7117 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6728 1.4019 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6603 3.1743 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2803 3.7943 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6603 4.4143 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2803 4.7943 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 5.4143 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0403 4.7943 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.6743 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 0.4843 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.9143 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1829 -2.8399 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3978 -2.6548 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5232 -0.6105 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6729 -0.3967 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4590 -1.2470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7741 3.3312 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 3.1043 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1541 2.2573 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.6743 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 2.1866 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 2.8769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -0.5157 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 3.2692 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 3.2692 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6743 1.0961 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.9143 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.6743 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9884 -4.8086 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6226 -5.4141 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2281 -4.7799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 1.3312 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.4843 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 0.2573 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7735 -2.8760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.4143 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.2306 -0.3068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.2504 -2.0158 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2551 1.2214 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 21 2 1 6 0 0 0 23 2 1 6 0 0 0 18 3 1 1 0 0 0 29 3 1 1 0 0 0 20 4 1 6 0 0 0 4 88 1 0 0 0 0 5 29 1 0 0 0 0 5 36 1 0 0 0 0 34 6 1 6 0 0 0 44 6 1 6 0 0 0 35 7 1 6 0 0 0 7 98 1 0 0 0 0 8 39 1 0 0 0 0 8 53 1 0 0 0 0 9 37 1 0 0 0 0 9101 1 0 0 0 0 10 44 1 0 0 0 0 10 50 1 0 0 0 0 11 39 2 0 0 0 0 12 45 2 0 0 0 0 13 47 2 0 0 0 0 49 14 1 1 0 0 0 14111 1 0 0 0 0 15 55 1 0 0 0 0 15114 1 0 0 0 0 17 16 1 1 0 0 0 16 32 1 0 0 0 0 16 33 1 0 0 0 0 16 66 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 59 1 0 0 0 0 18 22 1 0 0 0 0 18 60 1 0 0 0 0 19 21 1 0 0 0 0 19 61 1 0 0 0 0 19 62 1 0 0 0 0 20 24 1 0 0 0 0 20 25 1 0 0 0 0 20 28 1 0 0 0 0 21 63 1 0 0 0 0 22 30 1 1 0 0 0 22 64 1 0 0 0 0 23 24 1 0 0 0 0 23 26 1 0 0 0 0 23 65 1 0 0 0 0 24 67 1 0 0 0 0 24 68 1 0 0 0 0 25 27 1 0 0 0 0 25 39 1 1 0 0 0 25 69 1 0 0 0 0 26 27 1 0 0 0 0 26 37 2 0 0 0 0 27 38 2 0 0 0 0 28 41 1 0 0 0 0 28 70 1 0 0 0 0 28 71 1 0 0 0 0 29 31 1 0 0 0 0 29 72 1 0 0 0 0 30 73 1 0 0 0 0 30 74 1 0 0 0 0 30 75 1 0 0 0 0 31 35 1 0 0 0 0 31 76 1 0 0 0 0 31 77 1 0 0 0 0 32 78 1 0 0 0 0 32 79 1 0 0 0 0 32 80 1 0 0 0 0 33 81 1 0 0 0 0 33 82 1 0 0 0 0 33 83 1 0 0 0 0 34 35 1 0 0 0 0 34 36 1 0 0 0 0 34 84 1 0 0 0 0 35 85 1 0 0 0 0 36 43 1 6 0 0 0 36 86 1 0 0 0 0 37 40 1 0 0 0 0 38 42 1 0 0 0 0 38 87 1 0 0 0 0 40 42 2 0 0 0 0 40 45 1 0 0 0 0 41 89 1 0 0 0 0 41 90 1 0 0 0 0 41 91 1 0 0 0 0 42 47 1 0 0 0 0 43 92 1 0 0 0 0 43 93 1 0 0 0 0 43 94 1 0 0 0 0 44 46 1 0 0 0 0 44 95 1 0 0 0 0 45 51 1 0 0 0 0 46 48 1 0 0 0 0 46 96 1 0 0 0 0 46 97 1 0 0 0 0 47 52 1 0 0 0 0 48 49 1 0 0 0 0 48 99 1 0 0 0 0 48100 1 0 0 0 0 49 50 1 0 0 0 0 49102 1 0 0 0 0 50 54 1 1 0 0 0 50103 1 0 0 0 0 51 52 2 0 0 0 0 51 55 1 0 0 0 0 52 56 1 0 0 0 0 53104 1 0 0 0 0 53105 1 0 0 0 0 53106 1 0 0 0 0 54107 1 0 0 0 0 54108 1 0 0 0 0 54109 1 0 0 0 0 55 57 2 0 0 0 0 56 58 2 0 0 0 0 56110 1 0 0 0 0 57 58 1 0 0 0 0 57112 1 0 0 0 0 58113 1 0 0 0 0 M CHG 1 16 1 M END > 71627301 > 1 > 1480 > 15 > 6 > 10 > AAADcfB+PAAAAAAAAAAAAAAAAAAAAAAAAAA0aNGCAAAAAADBQAAAHgAQCAAADXzxmAcyDoPABgCIAqDSCAACAAAkIAAIiIEOCMgbNzaCtRqncUAn8BEfuYfL7PzOwAADAAAYAADAAAYQADAAAAAAAAAAAA== > [(2S,3S,4S,6R)-6-[[(1S,3R,4R)-3-ethyl-3,10,12-trihydroxy-4-methoxycarbonyl-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-3-[(2S,4S,5S,6S)-4-hydroxy-5-[(2S,5S,6S)-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-6-methyl-tetrahydropyran-2-yl]oxy-2-methyl-tetrahydropyran-4-yl]-dimethyl-ammonium > [(2S,3S,4S,6R)-6-[[(1S,3R,4R)-3-ethyl-3,10,12-trihydroxy-4-methoxycarbonyl-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-3-[[(2S,4S,5S,6S)-4-hydroxy-5-[[(2S,5S,6S)-5-hydroxy-6-methyl-2-oxanyl]oxy]-6-methyl-2-oxanyl]oxy]-2-methyl-4-oxanyl]-dimethylammonium > [(2S,3S,4S,6R)-6-[[(1S,3R,4R)-3-ethyl-3,10,12-trihydroxy-4-methoxycarbonyl-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-3-[(2S,4S,5S,6S)-4-hydroxy-5-[(2S,5S,6S)-5-hydroxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-2-methyloxan-4-yl]-dimethylazanium > [(2S,3S,4S,6R)-6-[[(1S,3R,4R)-3-ethyl-3,10,12-trihydroxy-4-methoxycarbonyl-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-3-[(2S,4S,5S,6S)-4-hydroxy-5-[(2S,5S,6S)-5-hydroxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-2-methyloxan-4-yl]-dimethylazanium > [(2S,3S,4S,6R)-6-[[(1S,3R,4R)-3-ethyl-4-methoxycarbonyl-3,10,12-tris(oxidanyl)-6,11-bis(oxidanylidene)-2,4-dihydro-1H-tetracen-1-yl]oxy]-2-methyl-3-[(2S,4S,5S,6S)-6-methyl-5-[(2S,5S,6S)-6-methyl-5-oxidanyl-oxan-2-yl]oxy-4-oxidanyl-oxan-2-yl]oxy-oxan-4-yl]-dimethyl-azanium > [(2S,3S,4S,6R)-6-[[(1S,3R,4R)-4-carbomethoxy-3-ethyl-3,10,12-trihydroxy-6,11-diketo-2,4-dihydro-1H-tetracen-1-yl]oxy]-3-[(2S,4S,5S,6S)-4-hydroxy-5-[(2S,5S,6S)-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-6-methyl-tetrahydropyran-2-yl]oxy-2-methyl-tetrahydropyran-4-yl]-dimethyl-ammonium > InChI=1S/C42H55NO15/c1-8-42(51)17-28(33-22(35(42)41(50)52-7)14-23-34(38(33)49)37(48)32-21(36(23)47)10-9-11-26(32)45)56-30-15-24(43(5)6)39(19(3)54-30)58-31-16-27(46)40(20(4)55-31)57-29-13-12-25(44)18(2)53-29/h9-11,14,18-20,24-25,27-31,35,39-40,44-46,49,51H,8,12-13,15-17H2,1-7H3/p+1/t18-,19-,20-,24-,25-,27-,28-,29-,30-,31-,35-,39+,40+,42+/m0/s1 > CPUWOKRFRYWIHK-BPPBZOKFSA-O > 3.8 > 814.36499508 > C42H56NO15+ > 814.9 > CCC1(CC(C2=C(C3=C(C=C2C1C(=O)OC)C(=O)C4=C(C3=O)C(=CC=C4)O)O)OC5CC(C(C(O5)C)OC6CC(C(C(O6)C)OC7CCC(C(O7)C)O)O)[NH+](C)C)O > CC[C@]1(C[C@@H](C2=C(C3=C(C=C2[C@H]1C(=O)OC)C(=O)C4=C(C3=O)C(=CC=C4)O)O)O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)O[C@H]6C[C@@H]([C@@H]([C@@H](O6)C)O[C@H]7CC[C@@H]([C@@H](O7)C)O)O)[NH+](C)C)O > 221 > 814.36499508 > 1 > 58 > 14 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 49 14 5 17 16 5 21 2 6 23 2 6 22 30 5 25 39 5 26 27 8 26 37 8 27 38 8 18 3 5 29 3 5 36 43 6 37 40 8 38 42 8 20 4 6 40 42 8 50 54 5 51 52 8 51 55 8 52 56 8 55 57 8 56 58 8 57 58 8 34 6 6 44 6 6 35 7 6 $$$$