71314811 -OEChem-04242420332D 121123 0 1 0 0 0 0 0999 V2000 5.4641 -0.7947 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.7947 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6322 0.9642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.7947 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.7947 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 2.2053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4282 -3.6608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.7947 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -2.7947 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3210 4.6712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8390 2.4393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.7053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.2053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.7947 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.4641 0.2053 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3301 0.7053 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5981 0.7053 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1962 0.2053 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5981 1.7053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.7053 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4641 2.2053 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5981 -1.2947 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3301 1.7053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8910 -0.0018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.2947 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5981 -2.2947 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9282 -2.7947 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7320 -2.7947 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0622 -2.2947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -2.2947 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3301 3.7053 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0622 3.7053 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8660 -2.2947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 3.2053 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4641 3.2053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -1.2947 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8660 -1.2947 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9282 3.2053 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0622 1.7053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.2053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.2053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4282 -3.6608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 4.7053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4886 4.5244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 3.7053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3733 1.9300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -0.7947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.7947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.2947 0.0000 C 2 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.2947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 3.2053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -4.5268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.1047 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 1.0153 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -0.1047 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 2.2879 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 1.5976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 1.0153 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0841 2.2053 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.6047 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9501 1.7053 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.3253 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7101 1.7053 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4526 0.4366 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4526 -0.4402 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3294 -0.4402 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5252 -1.6047 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.9147 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -3.1047 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4516 -2.1871 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8501 -2.8773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -2.9147 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 4.0153 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 -2.1871 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 -2.8773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 2.7303 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -0.6747 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.6747 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 2.8953 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6182 -0.3317 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -0.1047 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2382 0.7422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8441 1.2053 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.5853 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0841 1.2053 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8913 -3.3508 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1182 -4.1977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9651 -3.9708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9501 4.7053 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 5.3253 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7101 4.7053 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9965 4.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1330 5.0323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9807 4.1688 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1928 4.1802 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3957 4.1802 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9722 2.0905 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2128 2.5289 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7745 1.7695 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9703 -1.3317 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -0.4847 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3503 -0.2578 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -0.2578 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.4847 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -1.3317 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -2.4847 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -2.4847 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9199 4.8317 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3139 2.8377 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -4.6047 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1760 -4.8317 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5560 -3.7578 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2881 -4.8317 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -4.6047 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9081 -3.7578 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3503 2.6683 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 2.8953 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9703 3.7422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3913 -4.2168 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6182 -5.0637 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -4.8368 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 27 7 1 6 0 0 0 7 52 1 0 0 0 0 26 8 1 6 0 0 0 8106 1 0 0 0 0 30 9 1 6 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 28 14 1 1 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 1 0 0 0 36 77 1 0 0 0 0 37 48 1 1 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 ISO 1 49 14 M END > 71314811 > 1 > 1190 > 14 > 4 > 8 > AAADcfB+PAAAAAAAAAAAAAAAAAAAAAAAAAAkSAAAAAAAAAAAAAAAHgAACAAADXzxgAcCCAMABgAIAICQCAAAAAAAAAAAAAEIAAATEBYAgAAmQAAHIAAXAAHK7PzOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > (3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-14-ethyl-12,13-dihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-6-[(2S,3R,4S,6R)-3-hydroxy-6-methyl-4-[methyl((114C)methyl)amino]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)-14-ethyl-12,13-dihydroxy-4-[[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-2-oxanyl]oxy]-6-[[(2S,3R,4S,6R)-3-hydroxy-6-methyl-4-[methyl((114C)methyl)amino]-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)-14-ethyl-12,13-dihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-6-[(2S,3R,4S,6R)-3-hydroxy-6-methyl-4-[methyl((114C)methyl)amino]oxan-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)-14-ethyl-12,13-dihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-6-[(2S,3R,4S,6R)-3-hydroxy-6-methyl-4-[methyl((114C)methyl)amino]oxan-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)-14-ethyl-7-methoxy-4-[(2R,4R,5S,6S)-4-methoxy-4,6-dimethyl-5-oxidanyl-oxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-6-[(2S,3R,4S,6R)-6-methyl-4-[methyl((114C)methyl)amino]-3-oxidanyl-oxan-2-yl]oxy-12,13-bis(oxidanyl)-1-oxacyclotetradecane-2,10-dione > (3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-14-ethyl-12,13-dihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-6-[(2S,3R,4S,6R)-3-hydroxy-6-methyl-4-[methyl((114C)methyl)amino]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/i11+2 > AGOYDEPGAOXOCK-KTGMJUTGSA-N > 3.2 > 749.48013324 > C38H69NO13 > 749.9 > 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)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]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)[14CH3])O)(C)OC)C)C)O)(C)O > 183 > 749.48013324 > 0 > 52 > 18 > 0 > 0 > 0 > 1 > 1 > -1 > 1 5 255 > 15 1 5 22 1 5 32 10 6 34 11 6 28 14 5 16 23 5 18 2 5 25 2 6 20 40 6 21 41 6 17 3 6 31 43 6 36 47 5 37 48 5 38 45 5 27 7 6 26 8 6 30 9 6 $$$$