Mrv1652307012117483D 77 79 0 0 0 0 999 V2000 3.4409 -0.9423 0.5920 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2343 -0.2718 -0.7172 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3282 0.0895 -1.3624 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6945 -0.1624 -0.8048 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6944 -0.5304 -1.6775 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0308 -0.6994 -0.6277 S 0 0 0 0 0 0 0 0 0 0 0 0 7.2549 -0.2990 0.8386 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8283 -0.2323 2.2368 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3008 1.0343 2.5061 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0169 -0.0576 0.4479 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8644 -0.0322 -1.2499 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0506 0.8314 -0.2961 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6309 2.1894 -0.1168 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4140 2.8249 1.1588 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7789 3.3031 -0.0755 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3138 4.6972 -0.4123 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6955 3.1793 -0.1283 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.3076 2.6432 1.1710 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.7958 2.5168 0.9478 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.1564 1.2670 0.1893 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.7924 1.7004 -1.1307 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1746 0.4771 0.9857 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.3117 0.9580 2.2727 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7921 -0.9988 1.0600 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.8610 -1.6631 1.9258 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8599 -1.6173 -0.2955 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6744 -1.1124 -1.0575 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9987 -2.7714 -0.7026 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.7849 -3.5290 -1.7884 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8349 -3.7523 0.4307 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7190 -2.3612 -1.3405 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.9569 -1.2235 -2.1038 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5727 -2.1818 -0.3812 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6727 -2.2509 -1.1836 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1762 -3.3932 -1.3361 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2231 -1.1580 -1.7127 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2339 -1.7075 0.5346 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4938 -1.3172 1.0248 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8116 -0.1723 1.3264 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2229 0.5761 -2.3065 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6359 -0.6757 -2.7722 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9922 -0.5003 2.9129 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6129 -1.0103 2.2901 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2514 1.5873 1.6917 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9892 0.6431 -2.1572 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0234 0.9286 -0.6933 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9692 0.3768 0.7075 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6958 2.3375 -0.4202 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3661 4.8539 -1.5068 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6190 5.4548 0.0029 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3005 4.8756 0.0366 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1216 2.5827 -0.9351 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1801 4.1956 -0.2405 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1765 3.4711 1.9166 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8276 1.7346 1.5272 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1026 3.4495 0.3939 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3261 2.5927 1.9279 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2710 0.6546 -0.0536 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3817 1.1291 -1.9855 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8966 1.6513 -1.0715 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5486 2.7781 -1.3499 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1761 0.5157 0.5029 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4943 0.7016 2.7709 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8290 -1.1564 1.5633 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7671 -1.8885 1.3277 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4572 -2.5587 2.4495 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1177 -0.9318 2.7210 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6999 -3.9768 -1.3806 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9854 -2.7622 -2.5790 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0916 -4.2607 -2.2353 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2098 -4.5869 0.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4569 -3.3166 1.3514 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8428 -4.2044 0.6073 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4092 -3.1596 -2.0586 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2021 -1.0173 -2.7156 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6638 -1.2978 0.2516 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6429 -3.0608 0.3296 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 7 10 2 0 0 0 0 2 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 6 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 28 29 1 6 0 0 0 28 30 1 0 0 0 0 28 31 1 0 0 0 0 31 32 1 0 0 0 0 31 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 2 0 0 0 0 34 36 1 0 0 0 0 10 4 1 0 0 0 0 36 11 1 0 0 0 0 15 13 1 0 0 0 0 1 37 1 0 0 0 0 1 38 1 0 0 0 0 1 39 1 0 0 0 0 3 40 1 0 0 0 0 5 41 1 0 0 0 0 8 42 1 0 0 0 0 8 43 1 0 0 0 0 9 44 1 0 0 0 0 11 45 1 6 0 0 0 12 46 1 0 0 0 0 12 47 1 0 0 0 0 13 48 1 6 0 0 0 16 49 1 0 0 0 0 16 50 1 0 0 0 0 16 51 1 0 0 0 0 17 52 1 0 0 0 0 17 53 1 0 0 0 0 18 54 1 0 0 0 0 18 55 1 0 0 0 0 19 56 1 0 0 0 0 19 57 1 0 0 0 0 20 58 1 6 0 0 0 21 59 1 0 0 0 0 21 60 1 0 0 0 0 21 61 1 0 0 0 0 22 62 1 6 0 0 0 23 63 1 0 0 0 0 24 64 1 1 0 0 0 25 65 1 0 0 0 0 25 66 1 0 0 0 0 25 67 1 0 0 0 0 29 68 1 0 0 0 0 29 69 1 0 0 0 0 29 70 1 0 0 0 0 30 71 1 0 0 0 0 30 72 1 0 0 0 0 30 73 1 0 0 0 0 31 74 1 6 0 0 0 32 75 1 0 0 0 0 33 76 1 0 0 0 0 33 77 1 0 0 0 0 M END > NP0003756 > NP-MRD > [H]OC([H])([H])C1=NC(\C([H])=C(/C([H])([H])[H])[C@@]2([H])OC(=O)C([H])([H])[C@]([H])(O[H])C(C(=O)[C@]([H])(C([H])([H])[H])[C@@]([H])(O[H])[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])[C@]3(O[C@@]3([H])C2([H])[H])C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])=C([H])S1 > InChI=1S/C27H41NO7S/c1-15-8-7-9-27(6)21(35-27)11-19(16(2)10-18-14-36-22(13-29)28-18)34-23(31)12-20(30)26(4,5)25(33)17(3)24(15)32/h10,14-15,17,19-21,24,29-30,32H,7-9,11-13H2,1-6H3/b16-10+/t15-,17+,19-,20-,21-,24-,27+/m0/s1 > UKIMCRYGLFQEOE-RGJAOAFDSA-N > C27H41NO7S > 523.69 > 523.260373838 > 7 > 77 > 56.78006916269143 > 1 > 3 > 0 > 0 > (1S,3S,7S,10R,11S,12S,16R)-7,11-dihydroxy-3-[(1E)-1-[2-(hydroxymethyl)-1,3-thiazol-4-yl]prop-1-en-2-yl]-8,8,10,12,16-pentamethyl-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione > 2.87 > 3.3054857123333328 > -4.98 > 0 > 3 > 0 > 14.185907718825288 > 13.508939660738935 > 1.071502859178128 > 129.48000000000002 > 136.4622 > 3 > 0 > 5.51e-03 g/l > (1S,3S,7S,10R,11S,12S,16R)-7,11-dihydroxy-3-[(1E)-1-[2-(hydroxymethyl)-1,3-thiazol-4-yl]prop-1-en-2-yl]-8,8,10,12,16-pentamethyl-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione > 0 > NP0003756 > Epothilone F $$$$