Mrv1652306202123393D 67 68 0 0 0 0 999 V2000 1.7758 2.8338 2.6052 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3526 1.5053 3.1802 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4752 0.5203 3.3490 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0657 1.2849 3.5131 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5310 0.0693 4.1759 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.5064 -0.7148 3.2819 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.6840 0.0897 2.7790 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9283 0.2322 1.4618 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0234 1.0112 0.7814 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.4791 2.2490 0.0516 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.7027 1.9235 -1.2145 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5459 1.6938 -2.4390 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3559 1.8628 -1.1956 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4390 1.5968 -2.3585 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.1693 0.1100 -2.6359 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4765 -0.6745 -1.5230 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0332 -1.7594 -0.8437 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2379 -2.3839 -1.0204 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6465 -3.6519 -0.6100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9983 -3.8310 -0.9853 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3699 -2.6667 -1.6086 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6243 -2.2007 -2.2290 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3289 -1.7959 -1.6259 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0754 -2.1886 0.0758 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1475 -1.3970 -0.0355 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8885 -0.3447 -1.0692 C 0 0 1 0 0 0 0 0 0 0 0 0 2.9333 -0.3759 -2.1789 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9259 0.9150 -0.4246 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5364 0.7513 3.7896 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0101 1.8705 3.7338 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7434 -0.0443 4.8523 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9308 3.5170 2.4697 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4940 3.3205 3.2733 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2504 2.6980 1.6290 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1416 0.8441 4.1548 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1320 -0.4917 3.5751 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0616 0.4545 2.4265 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6498 2.0912 3.3415 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2460 -0.6187 4.5232 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0444 0.4041 5.0858 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9414 -1.1305 2.4373 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8810 -1.5816 3.8410 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2602 -0.2706 0.7642 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7910 1.3296 1.4926 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5357 0.3446 0.0779 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8574 2.8386 0.7389 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3190 2.9034 -0.2154 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2976 0.9225 -2.2465 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0651 2.6172 -2.7155 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9673 1.3649 -3.3057 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8441 2.0376 -0.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8474 2.0557 -3.2673 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5048 2.1270 -2.1844 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1014 -0.3559 -2.9650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4847 0.0471 -3.5152 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0250 -4.3723 -0.0968 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6201 -4.6998 -0.8223 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2797 -3.0443 -2.4664 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4209 -1.6589 -3.1579 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1603 -1.5324 -1.5488 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9807 -3.0240 0.7528 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0606 -1.4833 0.5332 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7784 0.4450 -2.8884 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9411 -0.2359 -1.7695 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9182 -1.3203 -2.7342 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2524 0.8835 0.2781 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3169 0.4979 5.4323 H 0 0 0 0 0 0 0 0 0 0 0 0 8 7 2 0 0 0 0 17 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 26 16 1 0 0 0 0 13 11 2 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 7 6 1 0 0 0 0 15 14 1 0 0 0 0 6 5 1 0 0 0 0 11 10 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 23 1 0 0 0 0 23 18 1 0 0 0 0 5 4 1 0 0 0 0 26 27 1 0 0 0 0 16 15 1 0 0 0 0 26 28 1 1 0 0 0 4 2 2 3 0 0 0 2 3 1 0 0 0 0 10 9 1 0 0 0 0 7 29 1 0 0 0 0 2 1 1 0 0 0 0 29 31 1 0 0 0 0 16 17 2 0 0 0 0 29 30 2 0 0 0 0 14 13 1 0 0 0 0 11 12 1 0 0 0 0 9 8 1 0 0 0 0 21 22 1 0 0 0 0 15 54 1 0 0 0 0 15 55 1 0 0 0 0 14 52 1 0 0 0 0 14 53 1 0 0 0 0 13 51 1 0 0 0 0 10 46 1 0 0 0 0 10 47 1 0 0 0 0 9 44 1 0 0 0 0 9 45 1 0 0 0 0 8 43 1 0 0 0 0 6 41 1 0 0 0 0 6 42 1 0 0 0 0 5 39 1 0 0 0 0 5 40 1 0 0 0 0 4 38 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 24 61 1 0 0 0 0 25 62 1 0 0 0 0 19 56 1 0 0 0 0 20 57 1 0 0 0 0 27 63 1 0 0 0 0 27 64 1 0 0 0 0 27 65 1 0 0 0 0 28 66 1 0 0 0 0 3 35 1 0 0 0 0 3 36 1 0 0 0 0 3 37 1 0 0 0 0 31 67 1 0 0 0 0 12 48 1 0 0 0 0 12 49 1 0 0 0 0 12 50 1 0 0 0 0 22 58 1 0 0 0 0 22 59 1 0 0 0 0 22 60 1 0 0 0 0 M END > NP0039138 > NP-MRD > [H]OC(=O)C(=C(\[H])C([H])([H])C([H])([H])C(=C(/[H])C([H])([H])C([H])([H])C1=C(C([H])=C([H])[C@@]1(O[H])C([H])([H])[H])C1=C([H])C([H])=C(O1)C([H])([H])[H])\C([H])([H])[H])\C([H])([H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H] > InChI=1S/C27H36O4/c1-19(2)9-6-12-22(26(28)29)13-7-10-20(3)11-8-14-24-23(17-18-27(24,5)30)25-16-15-21(4)31-25/h9,11,13,15-18,30H,6-8,10,12,14H2,1-5H3,(H,28,29)/b20-11+,22-13-/t27-/m0/s1 > NPAWFSFXBCIQRF-UATDQJHISA-N > C27H36O4 > 424.581 > 424.261359639 > 3 > 67 > 47.846226605375165 > 0 > 2 > 0 > 0 > (2Z,6E)-9-[(5S)-5-hydroxy-5-methyl-2-(5-methylfuran-2-yl)cyclopenta-1,3-dien-1-yl]-6-methyl-2-(4-methylpent-3-en-1-yl)nona-2,6-dienoic acid > 6.15 > 5.894576313333332 > -4.61 > 0 > 2 > -1 > 13.995896783653848 > 5.178833468533424 > -2.822347929347855 > 70.67 > 130.56250000000003 > 11 > 0 > 1.04e-02 g/l > (2Z,6E)-9-[(5S)-5-hydroxy-5-methyl-2-(5-methylfuran-2-yl)cyclopenta-1,3-dien-1-yl]-6-methyl-2-(4-methylpent-3-en-1-yl)nona-2,6-dienoic acid > 0 > NP0039138 > sargafuran $$$$