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0 0 0 0 0 0 0 0 10.5461 -2.8867 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3919 3.1869 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -6.3390 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.2727 4.8759 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4641 -5.8390 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.9307 3.9362 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7320 -5.8390 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.6300 5.6420 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4641 -4.8390 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9459 3.7626 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7320 -4.8390 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.6452 5.4683 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.4236 0.3247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1667 -0.3445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6315 1.3028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.3390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5450 1.7095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4110 1.2095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9757 -1.7457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4405 2.7041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6448 -1.0026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4623 2.9120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2771 1.7095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.3390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0024 6.2344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -3.3390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6191 2.6492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1836 -2.7239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9100 3.5870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6394 -1.1071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0556 3.8255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0461 -2.0207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0611 3.9300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0243 -2.2286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5611 4.7961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5829 4.5882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1288 -3.2231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2152 -3.6298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4784 3.5936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7674 -1.5594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9678 5.7096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8398 5.2573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9948 -3.7231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3800 6.5186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8608 -3.2231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -6.6490 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6713 4.4010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -6.4590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7187 3.3536 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -5.5290 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2405 5.7496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -4.2190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3353 3.6549 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.2190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0346 5.3606 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8487 0.5569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0950 -0.2011 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9841 -1.2564 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5856 -1.9467 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0125 0.7346 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8096 0.7346 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3970 0.4298 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3457 1.9811 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4082 -3.4216 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8067 -2.7313 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4201 1.1062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8960 1.6735 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -7.6490 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6561 4.5746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -6.0290 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1841 3.2778 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -6.9590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5826 6.6893 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5772 -2.8528 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3125 -3.3303 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7901 -2.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4574 3.2959 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2010 4.1344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3625 3.8781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0038 -0.6055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4200 4.3271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -3.0290 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9459 7.6490 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9295 -2.9515 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5209 2.5804 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1823 -2.0202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2282 -1.1446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3525 -1.0987 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5844 5.7744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2546 5.7180 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3790 5.6722 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4249 4.7965 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9948 -4.3431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6322 7.0850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7634 6.4538 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3978 -3.5331 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8608 -2.6031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 0 0 0 0 1 31 1 0 0 0 0 2 30 1 0 0 0 0 2 32 1 0 0 0 0 29 3 1 1 0 0 0 3 48 1 0 0 0 0 30 4 1 6 0 0 0 4 49 1 0 0 0 0 23 5 1 1 0 0 0 5 90 1 0 0 0 0 24 6 1 6 0 0 0 6 91 1 0 0 0 0 25 7 1 6 0 0 0 7 92 1 0 0 0 0 26 8 1 1 0 0 0 8 93 1 0 0 0 0 27 9 1 6 0 0 0 9 94 1 0 0 0 0 28 10 1 1 0 0 0 10 95 1 0 0 0 0 11 46 1 0 0 0 0 11104 1 0 0 0 0 12 47 1 0 0 0 0 12105 1 0 0 0 0 13 46 2 0 0 0 0 14 47 2 0 0 0 0 15 48 2 0 0 0 0 16 49 2 0 0 0 0 17 60 2 0 0 0 0 18 61 2 0 0 0 0 19 34 1 0 0 0 0 19 42 1 0 0 0 0 19 84 1 0 0 0 0 20 35 1 0 0 0 0 20 43 1 0 0 0 0 20 85 1 0 0 0 0 21 54 1 0 0 0 0 21 60 1 0 0 0 0 21106 1 0 0 0 0 22 55 1 0 0 0 0 22 61 1 0 0 0 0 22107 1 0 0 0 0 23 25 1 0 0 0 0 23 27 1 0 0 0 0 23 68 1 0 0 0 0 24 26 1 0 0 0 0 24 28 1 0 0 0 0 24 69 1 0 0 0 0 25 29 1 0 0 0 0 25 70 1 0 0 0 0 26 30 1 0 0 0 0 26 71 1 0 0 0 0 27 31 1 0 0 0 0 27 72 1 0 0 0 0 28 32 1 0 0 0 0 28 73 1 0 0 0 0 29 74 1 0 0 0 0 30 75 1 0 0 0 0 31 46 1 1 0 0 0 31 76 1 0 0 0 0 32 47 1 6 0 0 0 32 77 1 0 0 0 0 33 34 1 0 0 0 0 33 35 1 0 0 0 0 33 78 1 0 0 0 0 33 79 1 0 0 0 0 34 36 2 0 0 0 0 35 37 2 0 0 0 0 36 38 1 0 0 0 0 36 40 1 0 0 0 0 37 39 1 0 0 0 0 37 41 1 0 0 0 0 38 44 1 0 0 0 0 38 80 1 0 0 0 0 38 81 1 0 0 0 0 39 45 1 0 0 0 0 39 82 1 0 0 0 0 39 83 1 0 0 0 0 40 42 2 0 0 0 0 40 50 1 0 0 0 0 41 43 2 0 0 0 0 41 51 1 0 0 0 0 42 52 1 0 0 0 0 43 53 1 0 0 0 0 44 48 1 0 0 0 0 44 86 1 0 0 0 0 44 87 1 0 0 0 0 45 49 1 0 0 0 0 45 88 1 0 0 0 0 45 89 1 0 0 0 0 50 96 1 0 0 0 0 50 97 1 0 0 0 0 50 98 1 0 0 0 0 51 99 1 0 0 0 0 51100 1 0 0 0 0 51101 1 0 0 0 0 52 54 2 0 0 0 0 52102 1 0 0 0 0 53 55 2 0 0 0 0 53103 1 0 0 0 0 54 56 1 0 0 0 0 55 57 1 0 0 0 0 56 59 2 0 0 0 0 56 62 1 0 0 0 0 57 58 2 0 0 0 0 57 63 1 0 0 0 0 58 61 1 0 0 0 0 58 64 1 0 0 0 0 59 60 1 0 0 0 0 59 65 1 0 0 0 0 62108 1 0 0 0 0 62109 1 0 0 0 0 62110 1 0 0 0 0 63 66 2 0 0 0 0 63111 1 0 0 0 0 64112 1 0 0 0 0 64113 1 0 0 0 0 64114 1 0 0 0 0 65 67 2 0 0 0 0 65115 1 0 0 0 0 66116 1 0 0 0 0 66117 1 0 0 0 0 67118 1 0 0 0 0 67119 1 0 0 0 0 M END > 5280817 > 1 > 2140 > 18 > 12 > 18 > AAADcfB/vgAAAAAAAAAAAAAAAAAAAWLECAAkSAAAAAAAAAAB4AAAHgAQCAAADByxngMCiJLJlgCoAyXyXAKCgCAhAiAImSFwRNgZMHbA0JWmYAhltADPyQfa/f/egAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > (2S,3S,4S,5R,6S)-6-[3-[2-[[3-[3-[(2S,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxy-tetrahydropyran-2-yl]oxy-3-oxo-propyl]-4-methyl-5-[(Z)-(4-methyl-5-oxo-3-vinyl-pyrrol-2-ylidene)methyl]-1H-pyrrol-2-yl]methyl]-4-methyl-5-[(Z)-(3-methyl-5-oxo-4-vinyl-pyrrol-2-ylidene)methyl]-1H-pyrrol-3-yl]propanoyloxy]-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid > (2S,3S,4S,5R,6S)-6-[3-[2-[[3-[3-[[(2S,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxy-2-oxanyl]oxy]-3-oxopropyl]-5-[(Z)-(3-ethenyl-4-methyl-5-oxo-2-pyrrolylidene)methyl]-4-methyl-1H-pyrrol-2-yl]methyl]-5-[(Z)-(4-ethenyl-3-methyl-5-oxo-2-pyrrolylidene)methyl]-4-methyl-1H-pyrrol-3-yl]-1-oxopropoxy]-3,4,5-trihydroxy-2-oxanecarboxylic acid > (2S,3S,4S,5R,6S)-6-[3-[2-[[3-[3-[(2S,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy-3-oxopropyl]-5-[(Z)-(3-ethenyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl]methyl]-5-[(Z)-(4-ethenyl-3-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl]propanoyloxy]-3,4,5-trihydroxyoxane-2-carboxylic acid > (2S,3S,4S,5R,6S)-6-[3-[2-[[3-[3-[(2S,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy-3-oxopropyl]-5-[(Z)-(3-ethenyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl]methyl]-5-[(Z)-(4-ethenyl-3-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl]propanoyloxy]-3,4,5-trihydroxyoxane-2-carboxylic acid > (2S,3S,4S,5R,6S)-6-[3-[2-[[3-[3-[(2S,3R,4S,5S,6S)-6-carboxy-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3-oxidanylidene-propyl]-5-[(Z)-(3-ethenyl-4-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl]methyl]-5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl]propanoyloxy]-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid > (2S,3S,4S,5R,6S)-6-[3-[2-[[3-[3-[(2S,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxy-tetrahydropyran-2-yl]oxy-3-keto-propyl]-5-[(Z)-(5-keto-4-methyl-3-vinyl-3-pyrrolin-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl]methyl]-5-[(Z)-(5-keto-3-methyl-4-vinyl-3-pyrrolin-2-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl]propanoyloxy]-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid > InChI=1S/C45H52N4O18/c1-7-20-19(6)40(58)49-27(20)14-25-18(5)23(10-12-31(51)65-45-37(57)33(53)35(55)39(67-45)43(62)63)29(47-25)15-28-22(17(4)24(46-28)13-26-16(3)21(8-2)41(59)48-26)9-11-30(50)64-44-36(56)32(52)34(54)38(66-44)42(60)61/h7-8,13-14,32-39,44-47,52-57H,1-2,9-12,15H2,3-6H3,(H,48,59)(H,49,58)(H,60,61)(H,62,63)/b26-13-,27-14-/t32-,33-,34-,35-,36+,37+,38-,39-,44+,45+/m0/s1 > SCJLWMXOOYZBTH-BTVQFETGSA-N > -0.2 > 936.32766082 > C45H52N4O18 > 936.9 > CC1=C(NC(=C1CCC(=O)OC2C(C(C(C(O2)C(=O)O)O)O)O)CC3=C(C(=C(N3)C=C4C(=C(C(=O)N4)C)C=C)C)CCC(=O)OC5C(C(C(C(O5)C(=O)O)O)O)O)C=C6C(=C(C(=O)N6)C=C)C > CC1=C(NC(=C1CCC(=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)CC3=C(C(=C(N3)/C=C\4/C(=C(C(=O)N4)C)C=C)C)CCC(=O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)/C=C\6/C(=C(C(=O)N6)C=C)C > 357 > 936.32766082 > 0 > 67 > 10 > 0 > 2 > 0 > 0 > 1 > -1 > 1 5 255 > 28 10 5 19 34 8 19 42 8 20 35 8 20 43 8 29 3 5 31 46 5 32 47 6 34 36 8 35 37 8 36 40 8 37 41 8 30 4 6 40 42 8 41 43 8 23 5 5 24 6 6 25 7 6 26 8 5 27 9 6 $$$$