Mrv0541 05061311042D 80 92 0 0 0 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 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 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 23.5949 -8.9662 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 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 25.7165 -8.8976 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 0 0 0 0 0 0 0 0 0 0 6.7066 -8.6312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1399 -11.2682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9087 -8.4213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.9270 -8.6581 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 4.2052 -8.2855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3481 -8.1790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7085 -8.1491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5012 -9.0272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5893 -8.9655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1904 -8.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4372 -8.8184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0383 -7.8841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2682 -11.4578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9191 -8.7004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5371 -10.6779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1486 -9.5386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0587 -10.5854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4201 -11.3270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7470 -9.1133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1862 -10.2122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3331 -8.9069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5098 -10.8809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3433 -9.9594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4393 -10.8325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2188 -7.7856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9173 -10.9921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9238 -9.4271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8662 -8.2970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4523 -8.0905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3431 -10.0131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7046 -10.7011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3281 -9.0074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.9038 -9.7011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3249 -9.2220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.5491 -10.3626 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 10.2787 -10.3165 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 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 7 6 2 0 0 0 0 8 6 1 0 0 0 0 9 7 1 0 0 0 0 11 10 2 0 0 0 0 13 12 2 0 0 0 0 15 14 2 0 0 0 0 27 1 1 0 0 0 0 27 16 1 0 0 0 0 27 17 1 0 0 0 0 28 2 1 0 0 0 0 29 3 1 0 0 0 0 30 4 1 0 0 0 0 30 28 1 0 0 0 0 31 10 1 0 0 0 0 31 25 1 0 0 0 0 32 18 1 0 0 0 0 32 19 1 0 0 0 0 33 24 1 0 0 0 0 33 26 1 0 0 0 0 34 11 1 0 0 0 0 34 18 1 0 0 0 0 35 8 1 0 0 0 0 36 9 1 0 0 0 0 37 12 1 0 0 0 0 37 35 1 0 0 0 0 38 14 1 0 0 0 0 39 13 1 0 0 0 0 39 38 1 0 0 0 0 40 15 1 0 0 0 0 41 16 1 0 0 0 0 42 20 1 0 0 0 0 42 40 1 0 0 0 0 43 21 1 0 0 0 0 43 41 1 0 0 0 0 44 22 1 0 0 0 0 44 36 1 0 0 0 0 45 23 1 0 0 0 0 46 17 1 0 0 0 0 46 45 1 0 0 0 0 47 19 1 0 0 0 0 48 21 1 0 0 0 0 49 20 1 0 0 0 0 50 22 1 0 0 0 0 51 23 1 0 0 0 0 52 29 1 0 0 0 0 54 29 1 0 0 0 0 54 48 1 0 0 0 0 55 28 1 0 0 0 0 56 47 1 0 0 0 0 56 53 1 0 0 0 0 57 49 1 0 0 0 0 57 53 1 0 0 0 0 58 52 1 0 0 0 0 58 55 1 0 0 0 0 59 5 1 0 0 0 0 59 50 1 0 0 0 0 59 51 1 0 0 0 0 60 24 1 0 0 0 0 60 30 1 0 0 0 0 61 25 1 0 0 0 0 62 31 1 0 0 0 0 63 32 1 0 0 0 0 64 33 1 0 0 0 0 65 50 1 0 0 0 0 66 52 1 0 0 0 0 67 53 1 0 0 0 0 68 26 1 0 0 0 0 68 60 1 0 0 0 0 69 34 1 0 0 0 0 69 56 1 0 0 0 0 70 35 1 0 0 0 0 70 38 1 0 0 0 0 71 39 1 0 0 0 0 71 42 1 0 0 0 0 72 37 1 0 0 0 0 72 44 1 0 0 0 0 73 43 1 0 0 0 0 73 45 1 0 0 0 0 74 47 1 0 0 0 0 74 49 1 0 0 0 0 75 36 1 0 0 0 0 75 51 1 0 0 0 0 76 40 1 0 0 0 0 76 57 1 0 0 0 0 77 41 1 0 0 0 0 77 54 1 0 0 0 0 78 48 1 0 0 0 0 78 55 1 0 0 0 0 79 46 1 0 0 0 0 79 59 1 0 0 0 0 80 58 1 0 0 0 0 80 60 1 0 0 0 0 M END > CHEM032718 > chemdb > CC1C(C)C2(CC(O)CO2)OC2C1OC1CC3OC4CC5OC6C\C=C/CC7OC8C=CC9OC%10C(CC9OC8C=CC7OC6CC(O)C5(C)OC4CC(C)CC3OC1C(C)C2O)OC1CC(O)CC(OC1C%10O)\C=C/C(O)CO > InChI=1S/C60H88O20/c1-27-16-41-43(21-48-54(77-41)29(3)52(66)58-55(78-48)28(2)30(4)60(80-58)24-33(64)26-68-60)73-45-23-51-59(5,79-46(45)17-27)50(65)22-44-36(75-51)9-7-6-8-35-37(72-44)12-13-39-38(70-35)14-15-40-42(71-39)20-49-57(76-40)53(67)56-47(74-49)19-32(63)18-34(69-56)11-10-31(62)25-61/h6-7,10-15,27-58,61-67H,8-9,16-26H2,1-5H3/b7-6-,11-10- > GMAVVBHHYUTPNO-QOXWLJPHSA-N > C60H88O20 > 1129.3287 > 1128.586895256 > 20 > 125.63076022615198 > 0 > 7 > 0 > 0 > (29Z)-16-[(1Z)-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[30.28.0.0³,²⁷.0⁶,²⁵.0⁸,²².0¹⁰,²⁰.0¹²,¹⁸.0³⁴,⁵⁸.0³⁶,⁵⁶.0³⁸,⁵².0⁴⁰,⁵⁰.0⁴²,⁴⁷]hexacontane-45,2'-oxolane]-4,23,29-triene-4',14,19,48,59-pentol > 1.20 > 1.4316691840000022 > -4.17 > 0 > 13 > 0 > 13.43447436169087 > 12.86547132970707 > -2.765044121291856 > 261.5999999999999 > 284.7811999999998 > 3 > 0 > 7.68e-02 g/l > (29Z)-16-[(1Z)-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[30.28.0.0³,²⁷.0⁶,²⁵.0⁸,²².0¹⁰,²⁰.0¹²,¹⁸.0³⁴,⁵⁸.0³⁶,⁵⁶.0³⁸,⁵².0⁴⁰,⁵⁰.0⁴²,⁴⁷]hexacontane-45,2'-oxolane]-4,23,29-triene-4',14,19,48,59-pentol > 0 > 6,7-Dihydro-7-hydroxyciguatoxin > 263336-56-7 $$$$