16212992 -OEChem-12020913562D 118120 0 1 0 0 0 0 0999 V2000 5.5000 -1.1830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5000 0.5490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2589 -3.0149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5000 -2.9151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 1.4151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5000 2.2811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 4.1471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 -1.1830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 4.0131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9659 1.6739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7340 1.1919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0000 -2.0490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5000 0.5490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 -2.9151 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5000 -1.1830 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.0000 -0.3170 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.0000 -2.0490 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5000 0.5490 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.0000 -2.0490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0000 1.4151 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5000 -1.1830 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0000 -2.0490 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.0000 1.4151 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0000 3.1471 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0000 -0.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 -2.0490 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5000 -2.9151 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5000 2.2811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2929 -2.7562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 3.1471 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0000 -0.3170 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0000 1.4151 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0000 -3.7811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5000 0.5490 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.5000 2.2811 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.5000 -1.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 -3.7811 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5000 2.2811 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0000 1.4151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5000 2.2811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5000 -1.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8660 3.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0000 -0.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8192 0.8415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0000 3.1471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 2.2811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5000 -4.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.7811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.0490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5000 4.0131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8660 4.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1900 -0.6461 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3100 0.2199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1900 1.0860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8923 -2.6596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5826 -2.2611 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3100 1.9520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5000 -0.5630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6900 -1.5121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6900 0.8781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0000 -0.9370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6200 -0.3170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0000 0.3030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3800 -2.0490 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1900 -3.4520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9750 1.8826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9750 2.6796 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8545 -2.3177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8545 -3.1946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7313 -3.1946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3800 3.1471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3100 0.2199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4174 -3.9931 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1077 -4.3917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0250 0.1505 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1900 1.7442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6200 -3.7811 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1900 2.8180 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8577 -3.1754 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0369 2.5911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1900 2.8180 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9631 1.9711 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5000 -0.5630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8800 -1.1830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5000 -1.8030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1760 3.1102 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4030 3.9571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5560 4.1841 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0000 -0.9370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6200 -0.3170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0000 0.3030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4635 0.3336 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3270 0.4859 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1748 1.3494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4749 2.7486 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4749 3.5456 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 2.9011 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8800 2.2811 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 1.6611 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9631 -4.9571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8100 -5.1841 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0369 -4.3371 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8800 -1.1830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8800 4.0131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1264 2.2728 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1325 1.6668 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.4711 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -4.3180 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -4.0911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -1.7390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -1.5121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.3590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0369 4.3231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1900 4.5501 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9631 3.7031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1760 4.1102 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4030 4.9571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5560 5.1841 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 22 1 0 0 0 0 2 18 1 0 0 0 0 23 2 1 6 0 0 0 17 3 1 1 0 0 0 3 79 1 0 0 0 0 4 22 1 0 0 0 0 4 37 1 0 0 0 0 5 23 1 0 0 0 0 5 35 1 0 0 0 0 6 38 1 0 0 0 0 6 39 1 0 0 0 0 24 7 1 6 0 0 0 7 51 1 0 0 0 0 26 8 1 1 0 0 0 8103 1 0 0 0 0 30 9 1 6 0 0 0 9104 1 0 0 0 0 32 10 1 1 0 0 0 10105 1 0 0 0 0 11 34 1 0 0 0 0 11106 1 0 0 0 0 12 36 2 0 0 0 0 13 39 2 0 0 0 0 27 14 1 6 0 0 0 14 48 1 0 0 0 0 14 49 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 52 1 0 0 0 0 16 18 1 0 0 0 0 16 25 1 0 0 0 0 16 53 1 0 0 0 0 17 19 1 0 0 0 0 17 29 1 0 0 0 0 18 20 1 0 0 0 0 18 54 1 0 0 0 0 19 21 1 0 0 0 0 19 55 1 0 0 0 0 19 56 1 0 0 0 0 20 39 1 0 0 0 0 20 40 1 1 0 0 0 20 57 1 0 0 0 0 21 36 1 0 0 0 0 21 41 1 1 0 0 0 21 58 1 0 0 0 0 22 26 1 0 0 0 0 22 59 1 0 0 0 0 23 28 1 0 0 0 0 23 60 1 0 0 0 0 24 28 1 0 0 0 0 24 30 1 0 0 0 0 24 42 1 0 0 0 0 25 61 1 0 0 0 0 25 62 1 0 0 0 0 25 63 1 0 0 0 0 26 27 1 0 0 0 0 26 64 1 0 0 0 0 27 33 1 0 0 0 0 27 65 1 0 0 0 0 28 66 1 0 0 0 0 28 67 1 0 0 0 0 29 68 1 0 0 0 0 29 69 1 0 0 0 0 29 70 1 0 0 0 0 30 35 1 0 0 0 0 30 71 1 0 0 0 0 31 34 1 0 0 0 0 31 36 1 0 0 0 0 31 43 1 1 0 0 0 31 72 1 0 0 0 0 32 34 1 0 0 0 0 32 38 1 0 0 0 0 32 44 1 0 0 0 0 33 37 1 0 0 0 0 33 73 1 0 0 0 0 33 74 1 0 0 0 0 34 75 1 0 0 0 0 35 46 1 1 0 0 0 35 76 1 0 0 0 0 37 47 1 6 0 0 0 37 77 1 0 0 0 0 38 45 1 6 0 0 0 38 78 1 0 0 0 0 40 80 1 0 0 0 0 40 81 1 0 0 0 0 40 82 1 0 0 0 0 41 83 1 0 0 0 0 41 84 1 0 0 0 0 41 85 1 0 0 0 0 42 86 1 0 0 0 0 42 87 1 0 0 0 0 42 88 1 0 0 0 0 43 89 1 0 0 0 0 43 90 1 0 0 0 0 43 91 1 0 0 0 0 44 92 1 0 0 0 0 44 93 1 0 0 0 0 44 94 1 0 0 0 0 45 50 1 0 0 0 0 45 95 1 0 0 0 0 45 96 1 0 0 0 0 46 97 1 0 0 0 0 46 98 1 0 0 0 0 46 99 1 0 0 0 0 47100 1 0 0 0 0 47101 1 0 0 0 0 47102 1 0 0 0 0 48107 1 0 0 0 0 48108 1 0 0 0 0 48109 1 0 0 0 0 49110 1 0 0 0 0 49111 1 0 0 0 0 49112 1 0 0 0 0 50113 1 0 0 0 0 50114 1 0 0 0 0 50115 1 0 0 0 0 51116 1 0 0 0 0 51117 1 0 0 0 0 51118 1 0 0 0 0 M END > 16212992 > 1 > 1180 > 14 > 5 > 7 > AAADcfB+PAAAAAAAAAAAAAAAAAAAAAAAAAAkSAAAAAAAAAAAAAAAHgAACAAADXzxgAcCCAMABgAIAICQCAAAAAAAAAAAAAEIAAATEBYAgAAmQAAHIAAXAAHK7PzOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > (2R,4S,5R,8R,12R,14R)-11-[(3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-5-ethyl-3,4,12-trihydroxy-9-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-2,4,8,10,12,14-hexamethyl-6-oxacyclotetradecane-1,7-dione > (2R,4S,5R,8R,12R,14R)-11-[[(3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-2-tetrahydropyranyl]oxy]-5-ethyl-3,4,12-trihydroxy-9-[[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-2-tetrahydropyranyl]oxy]-2,4,8,10,12,14-hexamethyl-6-oxacyclotetradecane-1,7-dione > (2R,4S,5R,8R,12R,14R)-11-[(3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-5-ethyl-3,4,12-trihydroxy-9-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-2,4,8,10,12,14-hexamethyl-6-oxacyclotetradecane-1,7-dione > (2R,4S,5R,8R,12R,14R)-11-[(3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-oxan-2-yl]oxy-5-ethyl-3,4,12-trihydroxy-9-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-oxan-2-yl]oxy-2,4,8,10,12,14-hexamethyl-6-oxacyclotetradecane-1,7-dione > (2R,4S,5R,8R,12R,14R)-11-[(3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-5-ethyl-3,4,12-trihydroxy-9-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-2,4,8,10,12,14-hexamethyl-6-oxacyclotetradecane-1,7-quinone > InChI=1S/C37H67NO13/c1-14-25-37(10,45)30(41)20(4)27(39)18(2)16-35(8,44)32(51-34-28(40)24(38(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26/h18-26,28-32,34,40-42,44-45H,14-17H2,1-13H3/t18-,19-,20+,21?,22-,23+,24+,25-,26+,28-,29?,30?,31+,32?,34?,35-,36-,37-/m1/s1 > ULGZDMOVFRHVEP-ZHPXUIBWSA-N > 2.7 > 733.461241 > C37H67NO13 > 733.92678 > CCC1C(C(C(C(=O)C(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)N(C)C)O)(C)O)C)C)O)(C)O > CC[C@@H]1[C@@](C([C@H](C(=O)[C@@H](C[C@@](C(C(C([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)OC3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)O)(C)O > 194 > 733.461241 > 0 > 51 > 13 > 5 > 0 > 0 > 0 > 1 > 3 > 1 5 255 > 15 1 3 22 1 3 32 10 5 34 11 3 27 14 6 16 25 3 18 2 3 23 2 6 20 40 5 21 41 5 17 3 5 31 43 5 35 46 5 37 47 6 38 45 6 24 7 6 26 8 5 30 9 6 $$$$