Mrv1652307301920012D 114126 0 0 1 0 999 V2000 10.4596 -13.2918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2873 -8.0451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0513 -12.0884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6915 -7.6254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0096 -11.4676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4918 -7.1880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7252 -7.4930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1333 -9.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5949 -8.9662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2750 -7.4471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3340 -8.2193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3109 -9.7155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7397 -7.8546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9503 -7.6151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1532 -9.5676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9756 -9.5022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6520 -7.3474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4744 -7.2819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6296 -12.1995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1512 -12.1070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5665 -9.2118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9961 -10.0550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1524 -10.3636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5203 -9.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0289 -8.2386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.1314 -7.5302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9954 -9.0834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4096 -12.4683 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7066 -8.6312 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1399 -11.2682 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9087 -8.4213 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 25.3419 -7.2907 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2052 -8.2855 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.3481 -8.1790 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.7085 -8.1491 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.5012 -9.0272 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.5893 -8.9655 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.1904 -8.0312 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.4372 -8.8184 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.0383 -7.8841 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.7470 -9.1133 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.2682 -11.4578 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.9191 -8.7004 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5371 -10.6779 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.1486 -9.5386 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.0587 -10.5854 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4201 -11.3270 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.1862 -10.2122 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.3331 -8.9069 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.5098 -10.8809 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.3433 -9.9594 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4393 -10.8325 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.2188 -7.7856 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.9173 -10.9921 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9238 -9.4271 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.8662 -8.2970 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.4523 -8.0905 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3431 -10.0131 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7046 -10.7011 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3281 -9.0074 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 26.7335 -6.9663 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.1546 -6.4872 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6831 -7.6468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6971 -11.6844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7428 -11.2747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.3380 -6.9692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6893 -9.5295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5788 -7.8812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4210 -7.7333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2066 -9.1162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9732 -9.5142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9804 -9.4183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2787 -10.3165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6978 -9.2145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8049 -7.5791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4583 -11.6150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7440 -9.5157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2431 -11.3849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5453 -9.8033 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4674 -6.3634 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1765 -6.8769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.9270 -8.6581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.7630 -6.8116 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3595 -11.6449 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4894 -7.8353 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3982 -11.6296 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1259 -9.2172 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.5292 -8.0941 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3990 -8.4608 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.1460 -8.3889 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9006 -8.3163 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2032 -8.5938 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3765 -8.7186 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0067 -8.1504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6209 -8.6992 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2511 -8.1309 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.5342 -8.8665 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0917 -11.4078 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.6857 -8.3955 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7272 -10.8350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4070 -9.9000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5118 -11.2031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8817 -10.6432 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3668 -10.3083 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.0996 -8.6019 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3225 -10.0775 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1682 -9.9556 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6944 -10.4780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.9854 -7.4806 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7075 -11.7900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1999 -10.2045 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.6879 -8.3702 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.5714 -7.2742 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8957 -10.6257 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7 6 2 0 0 0 0 9 8 2 0 0 0 0 10 6 1 0 0 0 0 11 7 1 0 0 0 0 12 8 1 0 0 0 0 14 13 2 0 0 0 0 16 15 2 0 0 0 0 18 17 2 0 0 0 0 28 1 1 0 0 0 0 28 19 1 6 0 0 0 28 20 1 0 0 0 0 29 2 1 0 0 0 0 30 3 1 1 0 0 0 31 4 1 0 0 0 0 29 31 1 0 0 0 0 32 13 1 0 0 0 0 32 26 1 0 0 0 0 33 25 1 0 0 0 0 33 27 1 0 0 0 0 34 9 1 0 0 0 0 34 14 1 1 0 0 0 35 10 1 0 0 0 0 36 11 1 0 0 0 0 37 15 1 0 0 0 0 35 37 1 0 0 0 0 38 17 1 0 0 0 0 39 16 1 0 0 0 0 38 39 1 0 0 0 0 40 18 1 0 0 0 0 41 12 1 0 0 0 0 42 19 1 0 0 0 0 43 21 1 0 0 0 0 40 43 1 0 0 0 0 44 22 1 0 0 0 0 42 44 1 0 0 0 0 45 23 1 0 0 0 0 36 45 1 0 0 0 0 46 24 1 0 0 0 0 47 20 1 0 0 0 0 46 47 1 0 0 0 0 48 22 1 0 0 0 0 49 21 1 0 0 0 0 50 23 1 1 0 0 0 51 24 1 0 0 0 0 52 30 1 0 0 0 0 30 54 1 0 0 0 0 54 48 1 0 0 0 0 29 55 1 0 0 0 0 56 41 1 0 0 0 0 53 56 1 0 0 0 0 57 49 1 0 0 0 0 53 57 1 0 0 0 0 58 52 1 0 0 0 0 55 58 1 0 0 0 0 59 5 1 1 0 0 0 59 50 1 0 0 0 0 59 51 1 0 0 0 0 60 25 1 0 0 0 0 31 60 1 0 0 0 0 61 26 1 0 0 0 0 32 62 1 0 0 0 0 33 63 1 1 0 0 0 50 64 1 0 0 0 0 52 65 1 6 0 0 0 53 66 1 0 0 0 0 67 27 1 0 0 0 0 60 67 1 1 0 0 0 34 68 1 0 0 0 0 56 68 1 0 0 0 0 35 69 1 0 0 0 0 38 69 1 0 0 0 0 39 70 1 0 0 0 0 43 70 1 0 0 0 0 37 71 1 0 0 0 0 45 71 1 0 0 0 0 41 72 1 0 0 0 0 49 72 1 0 0 0 0 44 73 1 0 0 0 0 46 73 1 0 0 0 0 36 74 1 0 0 0 0 51 74 1 0 0 0 0 40 75 1 0 0 0 0 57 75 1 0 0 0 0 42 76 1 0 0 0 0 54 76 1 0 0 0 0 48 77 1 0 0 0 0 55 77 1 0 0 0 0 47 78 1 0 0 0 0 59 78 1 0 0 0 0 58 79 1 0 0 0 0 60 79 1 0 0 0 0 80 6 1 0 0 0 0 81 7 1 0 0 0 0 82 13 1 0 0 0 0 83 14 1 0 0 0 0 28 84 1 1 0 0 0 29 85 1 1 0 0 0 30 86 1 6 0 0 0 31 87 1 6 0 0 0 32 88 1 1 0 0 0 33 89 1 6 0 0 0 34 90 1 6 0 0 0 35 91 1 6 0 0 0 36 92 1 6 0 0 0 37 93 1 1 0 0 0 38 94 1 6 0 0 0 39 95 1 1 0 0 0 40 96 1 6 0 0 0 41 97 1 1 0 0 0 42 98 1 1 0 0 0 43 99 1 1 0 0 0 44100 1 6 0 0 0 45101 1 1 0 0 0 46102 1 6 0 0 0 47103 1 1 0 0 0 48104 1 6 0 0 0 49105 1 1 0 0 0 50106 1 6 0 0 0 51107 1 6 0 0 0 52108 1 1 0 0 0 53109 1 1 0 0 0 54110 1 1 0 0 0 55111 1 6 0 0 0 56112 1 6 0 0 0 57113 1 6 0 0 0 58114 1 1 0 0 0 M END > T3D2463 > t3db > [H]\C(=C(\[H])[C@]1([H])O[C@@]2([H])[C@]([H])(CC=C1)O[C@]1([H])C[C@]3([H])O[C@]4([H])C=C[C@]5([H])O[C@]6([H])C[C@@]([H])(O)[C@]7(C)O[C@]8([H])C[C@]([H])(C)C[C@]9([H])O[C@@]%10([H])[C@]([H])(C[C@@]9([H])O[C@@]8([H])C[C@@]7([H])O[C@@]6([H])C\C([H])=C([H])/C[C@@]5([H])O[C@@]4([H])C=C[C@@]3([H])O[C@@]1([H])[C@]2([H])O)O[C@]1([H])[C@@]([H])(C)[C@]([H])(C)[C@@]2(C[C@]([H])(O)CO2)O[C@@]1([H])[C@@]([H])(O)[C@]%10([H])C)[C@]([H])(O)CO > InChI=1S/C60H86O19/c1-28-19-42-44(22-48-54(76-42)30(3)52(65)58-55(77-48)29(2)31(4)60(79-58)25-33(63)27-67-60)73-46-24-51-59(5,78-47(46)20-28)50(64)23-45-36(74-51)11-7-6-10-35-37(71-45)15-16-39-38(69-35)17-18-40-43(70-39)21-49-57(75-40)53(66)56-41(72-49)12-8-9-34(68-56)14-13-32(62)26-61/h6-9,13-18,28-58,61-66H,10-12,19-27H2,1-5H3/b7-6-,14-13+/t28-,29+,30+,31+,32+,33+,34-,35-,36+,37+,38+,39-,40-,41+,42+,43+,44-,45-,46+,47-,48+,49-,50-,51-,52+,53-,54-,55-,56+,57-,58+,59+,60-/m1/s1 > VYVRIXWNTVOIRD-LRHBOZQDSA-N > C60H86O19 > 1111.3134 > 1110.57633057 > 19 > 165 > 123.17104099177449 > 0 > 6 > 0 > 0 > (1R,3S,4'S,6R,8S,10R,12S,16R,18R,19R,20S,22R,25S,27R,29Z,32S,34R,36S,38R,40S,42R,43S,44S,45R,47S,48S,49S,50R,52S,54R,56R,58S,59R)-16-[(1E,3S)-3,4-dihydroxybut-1-en-1-yl]-43,44,49,54,58-pentamethyl-2,7,11,17,21,26,33,37,41,46,51,57-dodecaoxaspiro[dodecacyclo[30.28.0.0^{3,27}.0^{6,25}.0^{8,22}.0^{10,20}.0^{12,18}.0^{34,58}.0^{36,56}.0^{38,52}.0^{40,50}.0^{42,47}]hexacontane-45,2'-oxolane]-4,14,23,29-tetraene-4',19,48,59-tetrol > 2.757961526333336 > 0 > 13 > 0 > 13.441243696762005 > 12.867226674722946 > -2.9539993342725523 > 241.3699999999999 > 284.1614999999998 > 3 > 0 > (1R,3S,4'S,6R,8S,10R,12S,16R,18R,19R,20S,22R,25S,27R,29Z,32S,34R,36S,38R,40S,42R,43S,44S,45R,47S,48S,49S,50R,52S,54R,56R,58S,59R)-16-[(1E,3S)-3,4-dihydroxybut-1-en-1-yl]-43,44,49,54,58-pentamethyl-2,7,11,17,21,26,33,37,41,46,51,57-dodecaoxaspiro[dodecacyclo[30.28.0.0^{3,27}.0^{6,25}.0^{8,22}.0^{10,20}.0^{12,18}.0^{34,58}.0^{36,56}.0^{38,52}.0^{40,50}.0^{42,47}]hexacontane-45,2'-oxolane]-4,14,23,29-tetraene-4',19,48,59-tetrol > 0 > T3D2463 > Ciguatoxin 1 > 11050-21-8 > Ciguatoxin; Ciguatoxin CTX 1; CTX; CTX 1; P-CTX 1; P-CTX-1; Pacific ciguatoxin 1; Pacific ciguatoxin-1 > Organic Compound; Ether; Food Toxin; Marine Toxin; Animal Toxin; Natural Compound $$$$