12560 -OEChem-04252409472D 118120 0 1 0 0 0 0 0999 V2000 5.4641 -0.9472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.9472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6322 0.8117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.9472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.9472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 2.0528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4282 -3.8132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.9472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -2.9472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3210 4.5188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8390 2.2868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.5528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.0528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.9472 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.0528 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3301 0.5528 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5981 0.5528 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1962 0.0528 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5981 1.5528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.5528 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4641 2.0528 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5981 -1.4472 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0622 -1.4472 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9282 -2.9472 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3301 1.5528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.4472 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0622 -2.4472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.9472 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8910 -0.1543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -2.4472 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3301 3.5528 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0622 3.5528 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8660 -2.4472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -1.4472 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1962 3.0528 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4641 3.0528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.4472 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9282 3.0528 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0622 1.5528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.0528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.0528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4282 -3.8132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 4.5528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4886 4.3720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 3.5528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -0.9472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.9472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.4472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.4472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 3.0528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -4.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.2572 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.8628 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -0.2572 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 2.1354 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 1.4452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 0.8628 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0841 2.0528 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.8272 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5252 -1.7572 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9501 1.5528 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.1728 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7101 1.5528 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.0672 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4516 -2.3395 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8501 -3.0298 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -3.2572 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4526 0.2841 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4526 -0.5927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3294 -0.5927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -3.0672 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 3.8628 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 -2.3395 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 -3.0298 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -0.8272 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 2.5779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.8272 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 2.7428 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4717 1.4105 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6182 -0.4841 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -0.2572 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2382 0.5898 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8441 1.0528 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.4328 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0841 1.0528 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8913 -3.5032 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1182 -4.3501 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9651 -4.1232 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9501 4.5528 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 5.1728 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7101 4.5528 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9965 4.7276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1330 4.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9807 4.0164 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1928 4.0278 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3957 4.0278 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9703 -1.4841 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -0.6372 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3503 -0.4102 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -0.4102 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.6372 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -1.4841 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -2.6372 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -2.6372 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9199 4.6792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3139 2.6853 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5560 -3.9102 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -4.7572 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1760 -4.9841 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2881 -4.9841 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -4.7572 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9081 -3.9102 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3503 2.5159 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 2.7428 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9703 3.5898 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3913 -4.3692 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6182 -5.2162 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -4.9892 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15 1 1 1 0 0 0 22 1 1 1 0 0 0 18 2 1 1 0 0 0 23 2 1 6 0 0 0 17 3 1 6 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 34 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 6 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 6 0 0 0 10105 1 0 0 0 0 35 11 1 6 0 0 0 11106 1 0 0 0 0 12 36 2 0 0 0 0 13 39 2 0 0 0 0 28 14 1 1 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 1 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 6 0 0 0 20 57 1 0 0 0 0 21 36 1 0 0 0 0 21 41 1 6 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 27 1 0 0 0 0 23 60 1 0 0 0 0 24 27 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 28 1 0 0 0 0 26 64 1 0 0 0 0 27 65 1 0 0 0 0 27 66 1 0 0 0 0 28 33 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 34 1 0 0 0 0 30 71 1 0 0 0 0 31 35 1 0 0 0 0 31 36 1 0 0 0 0 31 43 1 6 0 0 0 31 72 1 0 0 0 0 32 35 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 46 1 1 0 0 0 34 75 1 0 0 0 0 35 76 1 0 0 0 0 37 47 1 1 0 0 0 37 77 1 0 0 0 0 38 45 1 1 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 > 12560 > 1 > 1180 > 14 > 5 > 7 > AAADcfB+PAAAAAAAAAAAAAAAAAAAAAAAAAAkSAAAAAAAAAAAAAAAHgAACAAADXzxgAcCCAMABgAIAICQCAAAAAAAAAAAAAEIAAATEBYAgAAmQAAHIAAXAAHK7PzOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > (3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione > (3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-6-[[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-14-ethyl-7,12,13-trihydroxy-4-[[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-2-oxanyl]oxy]-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione > (3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione > (3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione > (3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-14-ethyl-4-[(2R,4R,5S,6S)-4-methoxy-4,6-dimethyl-5-oxidanyl-oxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-7,12,13-tris(oxidanyl)-1-oxacyclotetradecane-2,10-dione > (3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-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-RWJQBGPGSA-N > 2.7 > 733.46124119 > C37H67NO13 > 733.9 > 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@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)O)(C)O > 194 > 733.46124119 > 0 > 51 > 18 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 15 1 5 22 1 5 32 10 6 35 11 6 28 14 5 16 25 5 18 2 5 23 2 6 20 40 6 21 41 6 17 3 6 31 43 6 34 46 5 37 47 5 38 45 5 24 7 6 26 8 6 30 9 6 $$$$