71205175 -OEChem-03282417542D 121123 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 6.3301 1.5528 0.0000 C 0 0 0 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 8.0622 -1.4472 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5981 -2.4472 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.9282 -2.9472 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7320 -2.9472 0.0000 C 0 0 3 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 9.7942 -2.4472 0.0000 C 0 0 3 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 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 9.7942 -1.4472 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8660 -1.4472 0.0000 C 0 0 2 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 3.3733 1.7776 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 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 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 7.5252 -1.7572 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 3.1951 -3.2572 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 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 6.7976 2.5779 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 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 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 3.9722 1.9381 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2128 2.3764 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7745 1.6171 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 25 2 1 6 0 0 0 17 3 1 6 0 0 0 3 46 1 0 0 0 0 4 22 1 0 0 0 0 4 37 1 0 0 0 0 5 25 1 0 0 0 0 5 36 1 0 0 0 0 6 38 1 0 0 0 0 6 39 1 0 0 0 0 7 27 1 0 0 0 0 7 52 1 0 0 0 0 8 26 1 0 0 0 0 8106 1 0 0 0 0 9 30 1 0 0 0 0 9107 1 0 0 0 0 32 10 1 6 0 0 0 10108 1 0 0 0 0 34 11 1 6 0 0 0 11109 1 0 0 0 0 12 35 2 0 0 0 0 13 39 2 0 0 0 0 14 28 1 0 0 0 0 14 49 1 0 0 0 0 14 50 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 53 1 0 0 0 0 16 18 1 0 0 0 0 16 23 1 1 0 0 0 16 54 1 0 0 0 0 17 19 1 0 0 0 0 17 24 1 0 0 0 0 18 20 1 0 0 0 0 18 55 1 0 0 0 0 19 21 1 0 0 0 0 19 56 1 0 0 0 0 19 57 1 0 0 0 0 20 39 1 0 0 0 0 20 40 1 6 0 0 0 20 58 1 0 0 0 0 21 35 1 0 0 0 0 21 41 1 6 0 0 0 21 59 1 0 0 0 0 22 26 1 0 0 0 0 22 60 1 0 0 0 0 23 61 1 0 0 0 0 23 62 1 0 0 0 0 23 63 1 0 0 0 0 24 64 1 0 0 0 0 24 65 1 0 0 0 0 24 66 1 0 0 0 0 25 29 1 0 0 0 0 25 67 1 0 0 0 0 26 28 1 0 0 0 0 26 68 1 0 0 0 0 27 29 1 0 0 0 0 27 30 1 0 0 0 0 27 42 1 0 0 0 0 28 33 1 0 0 0 0 28 69 1 0 0 0 0 29 70 1 0 0 0 0 29 71 1 0 0 0 0 30 36 1 0 0 0 0 30 72 1 0 0 0 0 31 34 1 0 0 0 0 31 35 1 0 0 0 0 31 43 1 6 0 0 0 31 73 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 74 1 0 0 0 0 33 75 1 0 0 0 0 34 76 1 0 0 0 0 36 47 1 6 0 0 0 36 77 1 0 0 0 0 37 48 1 6 0 0 0 37 78 1 0 0 0 0 38 45 1 1 0 0 0 38 79 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 51 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 48103 1 0 0 0 0 48104 1 0 0 0 0 48105 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 52119 1 0 0 0 0 52120 1 0 0 0 0 52121 1 0 0 0 0 M END > 71205175 > 1 > 1190 > 14 > 4 > 8 > AAADcfB+PAAAAAAAAAAAAAAAAAAAAAAAAAAkSAAAAAAAAAAAAAAAHgAACAAADXzxgAcCCAMABgAIAICQCAAAAAAAAAAAAAEIAAATEBYAgAAmQAAHIAAXAAHK7PzOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > (3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-6-[(2S,6S)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-14-ethyl-12,13-dihydroxy-4-[(2R,6R)-5-hydroxy-4-methoxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-7-methoxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione > (3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-6-[[(2S,6S)-4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-14-ethyl-12,13-dihydroxy-4-[[(2R,6R)-5-hydroxy-4-methoxy-4,6-dimethyl-2-oxanyl]oxy]-7-methoxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione > (3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-6-[(2S,6S)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-12,13-dihydroxy-4-[(2R,6R)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-7-methoxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione > (3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-6-[(2S,6S)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-12,13-dihydroxy-4-[(2R,6R)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-7-methoxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione > (3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-6-[(2S,6S)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-14-ethyl-7-methoxy-4-[(2R,6R)-4-methoxy-4,6-dimethyl-5-oxidanyl-oxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-12,13-bis(oxidanyl)-1-oxacyclotetradecane-2,10-dione > (3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-6-[(2S,6S)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-14-ethyl-12,13-dihydroxy-4-[(2R,6R)-5-hydroxy-4-methoxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-7-methoxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-quinone > InChI=1S/C38H69NO13/c1-15-26-38(10,45)31(42)21(4)28(40)19(2)17-37(9,47-14)33(52-35-29(41)25(39(11)12)16-20(3)48-35)22(5)30(23(6)34(44)50-26)51-27-18-36(8,46-13)32(43)24(7)49-27/h19-27,29-33,35,41-43,45H,15-18H2,1-14H3/t19-,20+,21+,22+,23-,24-,25?,26-,27+,29?,30+,31-,32?,33-,35+,36?,37-,38-/m1/s1 > AGOYDEPGAOXOCK-ASZDMBBYSA-N > 3.2 > 747.47689126 > C38H69NO13 > 748.0 > 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)OC)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]2CC(C([C@H](O2)C)O)(C)OC)C)O[C@H]3C(C(C[C@@H](O3)C)N(C)C)O)(C)OC)C)C)O)(C)O > 183 > 747.47689126 > 0 > 52 > 14 > 4 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 15 1 5 22 1 5 32 10 6 34 11 6 28 14 3 16 23 5 18 2 5 25 2 6 20 40 6 21 41 6 27 42 3 17 3 6 31 43 6 36 47 6 37 48 6 38 45 5 26 8 3 30 9 3 $$$$