Mrv0541 09111411572D 111124 0 0 1 0 999 V2000 8.6240 -16.3062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9981 -9.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6683 -10.9149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1646 -14.4690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8708 -13.5928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6249 -10.1818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2374 -10.9102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0448 -12.7277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4095 -10.4370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4724 -11.2191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2278 -12.6126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7038 -12.2313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5282 -9.9565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2811 -9.6192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2043 -11.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6500 -11.9637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6700 -9.4902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3906 -9.3960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7601 -8.8640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1737 -8.8312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7884 -15.2181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3095 -15.1178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7114 -10.6264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0357 -9.1741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9568 -11.0715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1440 -13.0769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3018 -13.3591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2940 -14.2996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6673 -12.9106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8472 -11.6648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8430 -8.3312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5698 -15.4830 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.4643 -10.2891 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.8465 -11.1367 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.7315 -11.9537 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.8188 -11.4144 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.6438 -12.0261 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.3224 -10.7554 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.0142 -9.9976 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.8170 -9.4389 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.4233 -14.4783 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.9782 -10.2480 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.1755 -10.8067 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.4156 -9.7183 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6882 -13.6970 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.5769 -10.5273 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3349 -13.2382 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2938 -12.5341 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0700 -14.0195 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2093 -13.5967 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5744 -14.3365 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.6618 -13.8797 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5912 -13.8675 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4691 -10.4881 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4706 -12.0481 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.4906 -12.9642 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0685 -12.4596 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.2452 -10.2081 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0483 -11.4591 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.8558 -13.7040 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4908 -13.0486 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.9841 -9.1440 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0686 -8.0469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0948 -10.8212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8532 -14.6822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8969 -14.3132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1591 -9.1418 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.3490 -8.8084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5055 -10.6404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6435 -11.4372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1183 -12.5055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6343 -9.4534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6142 -14.6396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3582 -10.7922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4279 -13.3318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8413 -12.2175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8892 -12.5440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3977 -14.3901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6919 -12.8428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8386 -9.9561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9479 -10.6402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3161 -9.4168 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7893 -11.5234 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2512 -13.5264 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8090 -13.3234 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5155 -14.6598 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.3493 -11.1061 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0395 -11.3080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5303 -11.7473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0200 -11.6208 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3435 -11.5890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1315 -10.5941 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3552 -10.4939 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.6159 -9.6447 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2465 -14.4241 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.1969 -9.9831 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7956 -10.2625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2543 -8.9092 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8791 -13.8583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.7381 -11.3364 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5160 -13.3386 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5540 -12.8993 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8642 -14.8185 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6655 -14.2172 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0325 -13.6504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4704 -13.0772 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2854 -13.4218 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0582 -11.0658 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1906 -11.2721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3156 -12.9562 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3485 -13.2356 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7 6 2 0 0 0 0 9 6 1 0 0 0 0 10 7 1 0 0 0 0 11 8 2 0 0 0 0 12 8 1 0 0 0 0 14 13 2 0 0 0 0 16 15 1 0 0 0 0 19 18 1 0 0 0 0 20 17 1 0 0 0 0 32 1 1 1 0 0 0 32 21 1 0 0 0 0 32 22 1 0 0 0 0 33 17 1 0 0 0 0 33 23 1 0 0 0 0 34 9 1 0 0 0 0 35 11 1 0 0 0 0 35 34 1 0 0 0 0 36 12 1 0 0 0 0 37 10 1 0 0 0 0 38 13 1 0 0 0 0 38 36 1 0 0 0 0 39 14 1 0 0 0 0 40 24 1 0 0 0 0 41 21 1 0 0 0 0 42 23 1 0 0 0 0 42 40 1 0 0 0 0 43 25 1 0 0 0 0 43 39 1 0 0 0 0 44 24 1 0 0 0 0 45 26 1 0 0 0 0 45 41 1 0 0 0 0 46 25 1 0 0 0 0 46 44 1 0 0 0 0 47 26 1 0 0 0 0 48 27 1 0 0 0 0 48 37 1 0 0 0 0 49 28 1 0 0 0 0 49 47 1 0 0 0 0 50 29 1 0 0 0 0 51 22 1 0 0 0 0 51 50 1 0 0 0 0 52 27 1 0 0 0 0 53 28 1 0 0 0 0 54 15 1 0 0 0 0 55 16 1 0 0 0 0 56 29 1 0 0 0 0 57 30 1 0 0 0 0 58 2 1 6 0 0 0 58 18 1 0 0 0 0 58 54 1 0 0 0 0 59 3 1 6 0 0 0 59 30 1 0 0 0 0 59 55 1 0 0 0 0 60 4 1 1 0 0 0 60 52 1 0 0 0 0 60 56 1 0 0 0 0 61 5 1 1 0 0 0 61 53 1 0 0 0 0 61 57 1 0 0 0 0 62 19 1 0 0 0 0 62 31 1 6 0 0 0 63 31 1 0 0 0 0 33 64 1 6 0 0 0 52 65 1 6 0 0 0 53 66 1 1 0 0 0 62 67 1 1 0 0 0 68 20 1 0 0 0 0 68 40 1 0 0 0 0 69 34 1 0 0 0 0 69 38 1 0 0 0 0 70 36 1 0 0 0 0 70 43 1 0 0 0 0 71 35 1 0 0 0 0 71 48 1 0 0 0 0 72 39 1 0 0 0 0 72 44 1 0 0 0 0 73 41 1 0 0 0 0 73 49 1 0 0 0 0 74 42 1 0 0 0 0 74 46 1 0 0 0 0 75 45 1 0 0 0 0 75 50 1 0 0 0 0 76 37 1 0 0 0 0 76 56 1 0 0 0 0 77 47 1 0 0 0 0 77 57 1 0 0 0 0 78 51 1 0 0 0 0 78 60 1 0 0 0 0 79 55 1 0 0 0 0 79 61 1 0 0 0 0 80 54 1 0 0 0 0 80 62 1 0 0 0 0 81 58 1 0 0 0 0 81 59 1 0 0 0 0 82 6 1 0 0 0 0 83 7 1 0 0 0 0 84 8 1 0 0 0 0 85 11 1 0 0 0 0 32 86 1 1 0 0 0 33 87 1 1 0 0 0 34 88 1 6 0 0 0 35 89 1 1 0 0 0 36 90 1 1 0 0 0 37 91 1 6 0 0 0 38 92 1 6 0 0 0 39 93 1 6 0 0 0 40 94 1 6 0 0 0 41 95 1 1 0 0 0 42 96 1 1 0 0 0 43 97 1 1 0 0 0 44 98 1 6 0 0 0 45 99 1 6 0 0 0 46100 1 1 0 0 0 47101 1 6 0 0 0 48102 1 1 0 0 0 49103 1 1 0 0 0 50104 1 6 0 0 0 51105 1 1 0 0 0 52106 1 6 0 0 0 53107 1 1 0 0 0 54108 1 1 0 0 0 55109 1 1 0 0 0 56110 1 6 0 0 0 57111 1 6 0 0 0 M END > CHEM003349 > chemdb > [H]\C1=C([H])\[C@]2([H])O[C@]3([H])C[C@@]([H])(O)[C@]4(C)O[C@]5([H])C[C@]([H])(C)C[C@]6([H])O[C@]7([H])C[C@]([H])(O)[C@]8(C)O[C@]9([H])CC[C@]%10([H])O[C@](O)(CO)CC[C@@]%10(C)O[C@@]9(C)C[C@@]8([H])O[C@@]7([H])C[C@@]6([H])O[C@@]5([H])C[C@@]4([H])O[C@@]3([H])C\C([H])=C([H])\C[C@@]2([H])O[C@@]2([H])C=C[C@@]3([H])O[C@@]4([H])C[C@@]5([H])OCC[C@]([H])(O)C[C@]5([H])O[C@]4([H])C[C@]3([H])O[C@]2([H])C1 > InChI=1S/C62H92O19/c1-32-21-41-45(26-47-49(73-41)28-53(66)61(5)57(77-47)30-59(3)55(79-61)16-15-54-58(2,81-59)18-19-62(67,31-63)80-54)75-50-29-56-60(4,78-51(50)22-32)52(65)27-48-37(76-56)10-7-6-9-34-35(71-48)11-8-12-36-38(69-34)13-14-39-43(70-36)25-46-44(72-39)24-40-42(74-46)23-33(64)17-20-68-40/h6-8,11,13-14,32-57,63-67H,9-10,12,15-31H2,1-5H3/b7-6+,11-8-/t32-,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+,61+,62+/m1/s1 > WFCQOYJANLJDGJ-FANYTCEVSA-N > C62H92O19 > 1141.3825 > 1140.623280762 > 19 > 173 > 129.9229023623343 > 0 > 5 > 0 > 0 > (1R,3S,5E,8R,10S,13R,15S,17R,21S,23S,25R,27S,29R,31Z,33S,35R,37R,38S,40R,42R,44S,46R,48S,49S,51R,54S,56S,59R,61S,63R,65S,67R,69S)-56-(hydroxymethyl)-38,42,49,59,61-pentamethyl-2,9,14,18,24,28,34,39,45,50,55,60,64,68-tetradecaoxatetradecacyclo[36.32.0.0³,³⁵.0⁸,³³.0¹⁰,²⁹.0¹³,²⁷.0¹⁵,²⁵.0¹⁷,²³.0⁴⁰,⁶⁹.0⁴⁴,⁶⁷.0⁴⁶,⁶⁵.0⁴⁹,⁶³.0⁵¹,⁶¹.0⁵⁴,⁵⁹]heptaconta-5,11,31-triene-21,37,48,56-tetrol > 2.32 > 2.299867114999997 > -5.09 > 0 > 14 > 0 > 13.476856688627024 > 11.297787712908972 > -2.7560475256625088 > 230.3699999999999 > 291.1066999999997 > 1 > 0 > 9.37e-03 g/l > (1R,3S,5E,8R,10S,13R,15S,17R,21S,23S,25R,27S,29R,31Z,33S,35R,37R,38S,40R,42R,44S,46R,48S,49S,51R,54S,56S,59R,61S,63R,65S,67R,69S)-56-(hydroxymethyl)-38,42,49,59,61-pentamethyl-2,9,14,18,24,28,34,39,45,50,55,60,64,68-tetradecaoxatetradecacyclo[36.32.0.0³,³⁵.0⁸,³³.0¹⁰,²⁹.0¹³,²⁷.0¹⁵,²⁵.0¹⁷,²³.0⁴⁰,⁶⁹.0⁴⁴,⁶⁷.0⁴⁶,⁶⁵.0⁴⁹,⁶³.0⁵¹,⁶¹.0⁵⁴,⁵⁹]heptaconta-5,11,31-triene-21,37,48,56-tetrol > 0 > T3D4389 > Caribbean ciguatoxin 1 > C-CTX 1 > Organic Compound; Ether; Marine Toxin; Animal Toxin; Natural Compound $$$$