Mrv0541 05061311052D 79 91 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 7.0513 -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 7.5281 -8.5555 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 3.9954 -9.0834 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 4.6893 -9.5295 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 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 24.3249 -9.2220 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 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 23.3481 -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 21.7470 -9.1133 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 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 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 6.9238 -9.4271 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 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 24.5122 -10.0255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.7165 -8.8976 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 6.7747 -7.8090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0289 -8.2386 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 7 6 2 0 0 0 0 10 8 2 0 0 0 0 11 6 1 0 0 0 0 12 7 1 0 0 0 0 13 8 1 0 0 0 0 15 14 2 0 0 0 0 17 16 2 0 0 0 0 19 18 2 0 0 0 0 20 9 1 0 0 0 0 21 9 1 0 0 0 0 29 1 1 0 0 0 0 29 22 1 0 0 0 0 29 23 1 0 0 0 0 30 2 1 0 0 0 0 31 3 1 0 0 0 0 32 14 1 0 0 0 0 32 28 1 0 0 0 0 33 10 1 0 0 0 0 33 15 1 0 0 0 0 34 11 1 0 0 0 0 35 12 1 0 0 0 0 36 16 1 0 0 0 0 36 34 1 0 0 0 0 37 18 1 0 0 0 0 38 17 1 0 0 0 0 38 37 1 0 0 0 0 39 19 1 0 0 0 0 40 13 1 0 0 0 0 41 22 1 0 0 0 0 42 24 1 0 0 0 0 42 39 1 0 0 0 0 43 25 1 0 0 0 0 43 41 1 0 0 0 0 44 26 1 0 0 0 0 44 35 1 0 0 0 0 45 27 1 0 0 0 0 46 23 1 0 0 0 0 46 45 1 0 0 0 0 47 25 1 0 0 0 0 48 24 1 0 0 0 0 49 26 1 0 0 0 0 50 27 1 0 0 0 0 51 30 1 0 0 0 0 53 30 1 0 0 0 0 53 47 1 0 0 0 0 54 40 1 0 0 0 0 54 52 1 0 0 0 0 55 48 1 0 0 0 0 55 52 1 0 0 0 0 56 51 1 0 0 0 0 57 56 1 0 0 0 0 58 4 1 0 0 0 0 58 31 1 0 0 0 0 58 57 1 0 0 0 0 59 5 1 0 0 0 0 59 49 1 0 0 0 0 59 50 1 0 0 0 0 60 20 1 0 0 0 0 60 31 1 0 0 0 0 61 28 1 0 0 0 0 62 32 1 0 0 0 0 63 49 1 0 0 0 0 64 51 1 0 0 0 0 65 52 1 0 0 0 0 66 58 1 0 0 0 0 67 21 1 0 0 0 0 67 60 1 0 0 0 0 68 33 1 0 0 0 0 68 54 1 0 0 0 0 69 34 1 0 0 0 0 69 37 1 0 0 0 0 70 38 1 0 0 0 0 70 42 1 0 0 0 0 71 36 1 0 0 0 0 71 44 1 0 0 0 0 72 40 1 0 0 0 0 72 48 1 0 0 0 0 73 43 1 0 0 0 0 73 45 1 0 0 0 0 74 35 1 0 0 0 0 74 50 1 0 0 0 0 75 39 1 0 0 0 0 75 55 1 0 0 0 0 76 41 1 0 0 0 0 76 53 1 0 0 0 0 77 47 1 0 0 0 0 77 57 1 0 0 0 0 78 46 1 0 0 0 0 78 59 1 0 0 0 0 79 56 1 0 0 0 0 79 60 1 0 0 0 0 M END > CHEM032722 > chemdb > CC1C2(CCCO2)OC2C(OC3CC4OC5CC6OC7C\C=C/CC8OC9C=CC%10OC%11C(CC%10OC9C=CC8OC7CC(O)C6(C)OC5CC(C)CC4OC3C(C)C2O)OC2CC=CC(OC2C%11O)\C=C/C(O)CO)C1(C)O > InChI=1S/C60H86O19/c1-29-22-41-43(25-47-53(76-41)30(2)51(64)56-57(77-47)58(4,66)31(3)60(79-56)20-9-21-67-60)73-45-27-50-59(5,78-46(45)23-29)49(63)26-44-35(74-50)12-7-6-11-34-36(71-44)16-17-38-37(69-34)18-19-39-42(70-38)24-48-55(75-39)52(65)54-40(72-48)13-8-10-33(68-54)15-14-32(62)28-61/h6-8,10,14-19,29-57,61-66H,9,11-13,20-28H2,1-5H3/b7-6-,15-14- > WWCIRTDYOZROQE-HXDWTSBLSA-N > C60H86O19 > 1111.3134 > 1110.57633057 > 19 > 123.62371938411039 > 0 > 6 > 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]-4,14,23,29-tetraene-19,43,48,59-tetrol > 2.26 > 2.568393677333334 > -4.48 > 0 > 13 > 0 > 13.311480244821595 > 12.804802961066198 > -2.9539993342725523 > 241.3699999999999 > 284.5348999999998 > 3 > 0 > 3.72e-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]-4,14,23,29-tetraene-19,43,48,59-tetrol > 0 > 54-Deoxy-50-hydroxyciguatoxin > 263336-54-5 $$$$