HMDB0261027 RDKit 3D PE(20:4(7E,9E,11Z,13E)-3OH(5S,6R,15S)/16:1(9Z)) 126125 0 0 0 0 0 0 0 0999 V2000 -11.7674 7.3989 3.1788 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8345 6.5226 2.3439 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4155 6.3186 0.9683 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5253 5.4532 0.0896 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3156 4.0935 0.6740 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4136 3.2274 -0.2153 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0766 3.0859 -1.5182 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4411 1.9440 -2.0396 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2372 0.6550 -1.3980 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3797 -0.2495 -2.2919 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2087 -1.5894 -1.5938 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4262 -2.5487 -2.4017 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0543 -2.2486 -2.8114 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9657 -2.1202 -1.8375 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9707 -1.1070 -0.7739 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6738 -1.2586 -0.0059 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3134 -0.4368 0.8788 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8716 -2.3008 -0.2655 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6595 -2.7203 0.2361 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.5607 -2.7750 -0.7851 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4108 -3.3637 -0.1592 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7668 -3.5338 -0.8758 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7208 -3.0906 -2.0818 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9997 -4.1544 -0.4020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0508 -3.3039 0.1951 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6862 -2.5625 1.4399 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9144 -1.8279 1.9239 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9614 -2.7158 2.1824 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2991 -0.6190 1.1601 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8116 -0.8468 -0.1107 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3379 0.0838 2.0058 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4635 0.5388 1.5380 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4736 1.2155 2.3341 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6202 1.6820 1.8659 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5945 2.3434 2.6839 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7284 2.8182 2.2538 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1004 2.7089 0.8654 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2510 3.1899 0.4362 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6173 3.0723 -0.9766 C 0 0 2 0 0 0 0 0 0 0 0 0 11.5705 2.5397 -1.7468 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8215 2.2097 -1.2297 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0681 2.6879 -0.5597 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4975 4.0526 -0.9826 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7777 4.1078 -2.4785 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2143 5.5284 -2.8077 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7525 -4.0689 0.9147 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6476 -4.0441 1.9727 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6736 -5.5394 2.7348 P 0 0 0 0 0 5 0 0 0 0 0 0 -4.5156 -5.4864 3.9951 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0770 -5.8952 3.2351 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2092 -6.7313 1.6893 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1954 -7.7006 1.5338 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7380 -8.7578 0.5972 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0541 -8.1083 -0.6650 N 0 0 0 0 0 0 0 0 0 0 0 0 -12.5816 6.7587 3.5673 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1888 7.8703 3.9892 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1839 8.2004 2.5097 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8044 6.9220 2.3118 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8474 5.5109 2.8398 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4641 7.3237 0.4590 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4212 5.8700 1.0152 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5618 5.9842 -0.1095 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0710 5.4067 -0.8988 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8872 4.1578 1.6801 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3171 3.5810 0.6553 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1983 2.3220 0.3369 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4726 3.8395 -0.3122 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2490 4.0431 -2.0614 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9347 1.9724 -3.0274 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8854 0.6422 -0.3697 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2339 0.1095 -1.3657 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9917 -0.4191 -3.2176 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4269 0.2164 -2.5658 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8769 -1.4250 -0.5749 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2821 -2.0067 -1.5907 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0797 -2.8131 -3.2949 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4072 -3.5168 -1.7998 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7230 -3.0935 -3.5258 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0777 -1.3660 -3.5390 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9141 -3.1399 -1.2973 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9592 -2.0124 -2.3716 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1654 -0.0759 -1.0532 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7327 -1.3999 0.0134 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3373 -2.0004 1.0334 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2354 -1.7296 -1.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8268 -3.3620 -1.6702 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4408 -4.7590 -1.2604 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7516 -4.9524 0.3816 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9852 -3.8942 0.4325 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4136 -2.5915 -0.6084 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3416 -3.2380 2.2546 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8814 -1.8114 1.2825 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6240 -1.4573 2.9611 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4961 -2.9111 1.3776 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4167 0.0328 1.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5700 -1.4790 -0.1073 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1001 0.1938 3.0449 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6467 0.3931 0.4586 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2792 1.3490 3.3898 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7822 1.5335 0.8146 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3732 2.4627 3.7553 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4297 3.3213 2.9691 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4589 2.2395 0.1588 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9312 3.6718 1.1117 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8047 4.0806 -1.3593 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8874 3.2734 -1.7730 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6430 1.1427 -0.9894 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9996 2.2441 -2.3389 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0206 2.6661 0.5394 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8790 1.9695 -0.8352 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8606 4.8693 -0.6374 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5016 4.2353 -0.4944 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9009 3.8995 -3.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6139 3.3754 -2.6462 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2082 5.7410 -2.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4191 6.1963 -2.4366 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2777 5.6623 -3.9039 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7474 -4.4128 1.2493 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1422 -4.8341 0.1842 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9388 -5.5887 4.1673 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9480 -8.1056 2.5299 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3231 -7.2104 1.0402 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9772 -9.5742 0.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6419 -9.2234 1.0374 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1032 -7.9401 -0.7148 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7404 -8.7128 -1.4696 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 16 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 27 29 1 0 29 30 1 0 29 31 1 0 31 32 2 0 32 33 1 0 33 34 2 0 34 35 1 0 35 36 2 0 36 37 1 0 37 38 2 0 38 39 1 0 39 40 1 0 39 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 19 46 1 0 46 47 1 0 47 48 1 0 48 49 2 0 48 50 1 0 48 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 1 55 1 0 1 56 1 0 1 57 1 0 2 58 1 0 2 59 1 0 3 60 1 0 3 61 1 0 4 62 1 0 4 63 1 0 5 64 1 0 5 65 1 0 6 66 1 0 6 67 1 0 7 68 1 0 8 69 1 0 9 70 1 0 9 71 1 0 10 72 1 0 10 73 1 0 11 74 1 0 11 75 1 0 12 76 1 0 12 77 1 0 13 78 1 0 13 79 1 0 14 80 1 0 14 81 1 0 15 82 1 0 15 83 1 0 19 84 1 1 20 85 1 0 20 86 1 0 24 87 1 0 24 88 1 0 25 89 1 0 25 90 1 0 26 91 1 0 26 92 1 0 27 93 1 1 28 94 1 0 29 95 1 6 30 96 1 0 31 97 1 0 32 98 1 0 33 99 1 0 34100 1 0 35101 1 0 36102 1 0 37103 1 0 38104 1 0 39105 1 6 40106 1 0 41107 1 0 41108 1 0 42109 1 0 42110 1 0 43111 1 0 43112 1 0 44113 1 0 44114 1 0 45115 1 0 45116 1 0 45117 1 0 46118 1 0 46119 1 0 50120 1 0 52121 1 0 52122 1 0 53123 1 0 53124 1 0 54125 1 0 54126 1 0 M END