Mrv1652306242119543D 63 63 0 0 0 0 999 V2000 -7.0742 -0.3602 -2.4387 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1565 0.8556 -2.1905 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.9858 1.8827 -1.5788 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7664 2.3962 -0.4046 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6433 1.9919 0.4465 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.2180 1.4636 1.7113 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0784 0.2818 2.2157 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2599 -0.7567 1.5256 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.1466 -1.2122 2.3774 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9044 -1.0815 1.9881 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4470 -0.4840 0.6898 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.5983 0.6909 0.9275 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3737 0.8019 0.5119 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3440 -0.2256 -0.2584 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5484 -0.6442 0.5738 C 0 0 2 0 0 0 0 0 0 0 0 0 2.3222 -1.7196 -0.2028 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5182 -2.1324 0.6290 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4442 -1.0419 0.9237 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2042 -0.3747 1.9998 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5985 -0.6283 0.1436 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4328 0.4251 0.5119 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2306 1.1464 1.6467 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5250 0.7618 -0.3119 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7775 0.0751 -1.4601 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8686 0.4134 -2.2805 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7226 1.4849 -1.9115 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9718 -0.9701 -1.8511 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8870 -1.2999 -1.0274 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1039 -2.3395 -1.4395 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4784 -1.1767 -2.8887 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3784 -0.7008 -1.4361 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9085 -0.0888 -3.0898 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8736 1.1951 -3.2217 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3196 0.4618 -1.6342 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8653 2.2664 -2.1305 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4303 3.1823 0.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8580 1.4032 0.0022 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1442 2.9706 0.7617 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8341 2.1854 2.2676 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5476 -0.0145 3.1635 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0296 -0.5348 0.5022 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9728 -1.6547 1.4673 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3770 -1.6734 3.3646 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1243 -1.4408 2.6708 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2285 -0.3093 -0.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8273 -1.3223 0.2461 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0276 1.5418 1.4995 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1727 1.7558 0.7620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7287 0.2971 -1.1995 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2651 -1.0350 -0.6103 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1791 -1.1018 1.4916 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2340 0.1770 0.7595 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6268 -2.5799 -0.2786 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5682 -1.3825 -1.2096 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9240 -3.0632 0.2537 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0516 -2.4420 1.6345 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6246 1.1841 2.3863 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1500 1.5708 -0.0109 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0263 1.3726 -0.8377 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6332 1.4485 -2.5379 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2277 2.4429 -2.1005 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1883 -1.5018 -2.7642 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3077 -2.8334 -2.2910 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 24 27 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 28 20 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 33 1 0 0 0 0 2 34 1 0 0 0 0 3 35 1 0 0 0 0 4 36 1 0 0 0 0 5 37 1 0 0 0 0 5 38 1 0 0 0 0 6 39 1 0 0 0 0 7 40 1 0 0 0 0 8 41 1 0 0 0 0 8 42 1 0 0 0 0 9 43 1 0 0 0 0 10 44 1 0 0 0 0 11 45 1 0 0 0 0 11 46 1 0 0 0 0 12 47 1 0 0 0 0 13 48 1 0 0 0 0 14 49 1 0 0 0 0 14 50 1 0 0 0 0 15 51 1 0 0 0 0 15 52 1 0 0 0 0 16 53 1 0 0 0 0 16 54 1 0 0 0 0 17 55 1 0 0 0 0 17 56 1 0 0 0 0 22 57 1 0 0 0 0 23 58 1 0 0 0 0 26 59 1 0 0 0 0 26 60 1 0 0 0 0 26 61 1 0 0 0 0 27 62 1 0 0 0 0 29 63 1 0 0 0 0 M END > NP0014301 > NP-MRD > [H]OC1=C([H])C(OC([H])([H])[H])=C([H])C(O[H])=C1C(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])[H] > InChI=1S/C25H34O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(26)25-23(27)19-21(29-2)20-24(25)28/h4-5,7-8,10-11,13-14,19-20,27-28H,3,6,9,12,15-18H2,1-2H3/b5-4-,8-7-,11-10-,14-13- > ZVJQMVACQOETOP-GJDCDIHCSA-N > C25H34O4 > 398.543 > 398.245709575 > 4 > 63 > 47.05420250997759 > 0 > 2 > 0 > 0 > (6Z,9Z,12Z,15Z)-1-(2,6-dihydroxy-4-methoxyphenyl)octadeca-6,9,12,15-tetraen-1-one > 6.74 > 7.987470621 > -5.47 > 0 > 1 > 0 > 10.198031216461496 > 8.8856727593811 > -4.659420545330705 > 66.76 > 124.99409999999997 > 14 > 0 > 1.34e-03 g/l > (6Z,9Z,12Z,15Z)-1-(2,6-dihydroxy-4-methoxyphenyl)octadeca-6,9,12,15-tetraen-1-one > 0 > NP0014301 > 1-(2,6-Dihydroxy-4-methoxyphenyl)-6Z,9Z,12Z,15Z-octade-catetraen-1-one $$$$