HMDB0284078 RDKit 3D PE(22:4(7Z,10Z,13Z,16Z)/18:2(9Z,11E)+=O(13)) 132131 0 0 0 0 0 0 0 0999 V2000 3.8171 -0.7198 10.1810 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8680 -0.9914 9.1312 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8293 0.1735 9.0061 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1255 1.4343 8.6142 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4144 1.2841 7.2532 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7643 2.5710 7.0026 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9946 3.3467 5.9923 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9951 2.9830 4.9348 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0093 4.0759 4.9840 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3232 4.8775 4.0126 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7255 4.8421 2.6626 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7856 4.7555 1.6557 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9294 3.8487 0.7766 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0848 2.6806 0.5638 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8662 1.4128 0.5489 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6701 0.4304 1.3594 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6794 0.3755 2.4139 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6521 -0.7354 2.2561 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2510 -2.0962 2.1476 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1638 -3.1406 2.0626 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2157 -2.9165 0.9165 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1837 -3.9969 0.9225 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3689 -5.0264 1.6110 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0244 -3.9130 0.2067 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0125 -4.8814 0.1573 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0903 -4.2358 -0.6676 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.3449 -2.8764 0.0367 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1734 -2.0853 -0.7198 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4440 -0.6145 0.0937 P 0 0 0 0 0 5 0 0 0 0 0 0 -2.4349 0.5073 -0.9350 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1785 -0.3704 1.1838 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8945 -0.6368 0.9418 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1789 -1.8590 1.5167 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5179 -1.7187 2.2418 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9088 -2.9451 2.8795 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2608 -4.9118 -0.8767 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8278 -5.1771 -2.1215 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1970 -4.7803 -3.0928 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1234 -5.8945 -2.2673 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2554 -4.8684 -2.3012 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0713 -3.9339 -3.4675 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1834 -2.8989 -3.4363 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0111 -1.9385 -4.6190 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1133 -0.9167 -4.5198 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0576 0.1029 -5.6552 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1365 1.0855 -5.5001 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8879 2.3654 -5.3743 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5619 2.9470 -5.3747 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3966 4.2668 -5.2391 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0562 4.8417 -5.2431 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8981 6.0844 -5.1146 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8617 3.9856 -5.3983 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5651 4.7177 -5.4325 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2321 5.5084 -4.2121 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1626 4.5832 -3.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1242 3.5093 -3.1571 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0169 -0.1040 9.6866 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1811 -0.1024 11.0234 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3420 -1.6689 10.5309 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4528 -1.8739 9.4543 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3789 -1.1984 8.1597 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6522 -0.0909 8.3366 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2610 0.3406 10.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3895 1.6691 9.4117 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8557 2.2629 8.5878 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1625 0.9277 6.5747 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6015 0.5439 7.4622 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0075 2.8862 7.7591 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4417 4.2823 5.9198 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4263 2.9492 3.9931 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5249 2.0604 5.0876 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5290 4.1940 5.9519 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1063 5.6347 4.2628 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2215 5.8542 2.5388 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9837 4.0514 2.6057 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5220 5.6255 1.7246 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7909 3.9359 0.0762 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1787 2.6400 1.1611 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7005 2.7787 -0.5095 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6818 1.3258 -0.2339 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3334 -0.4643 1.2288 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2157 0.1235 3.3777 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1512 1.3014 2.6112 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9616 -0.6790 3.1074 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0741 -0.5288 1.3111 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9687 -2.1715 1.3047 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8238 -2.2986 3.0978 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5968 -3.0795 3.0356 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5862 -4.1689 2.0582 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7670 -3.0075 -0.0203 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7327 -1.9274 1.0599 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4019 -5.7458 -0.3982 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2961 -5.0960 1.1992 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6445 -3.9464 -1.6361 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3638 -2.3864 0.2566 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8036 -3.0967 0.9994 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3291 -1.0143 1.9461 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4408 -2.0256 2.3569 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2000 -2.7066 0.8090 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3027 -1.3316 1.5736 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3872 -0.9515 3.0599 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0507 -2.8235 3.8961 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2261 -3.6974 2.7499 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2874 -6.5118 -1.3587 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1724 -6.5104 -3.1759 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1899 -5.4432 -2.4536 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3288 -4.3351 -1.3487 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1801 -4.5224 -4.4220 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0750 -3.4825 -3.4908 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1500 -2.2918 -2.5125 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1590 -3.4038 -3.4998 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0271 -1.4747 -4.5803 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0912 -2.5403 -5.5483 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1001 -1.4459 -4.5734 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0622 -0.3429 -3.5869 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0427 0.4865 -5.6882 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2992 -0.4827 -6.5893 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1661 0.7327 -5.4911 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7462 3.0238 -5.2614 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6505 2.3896 -5.4767 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2391 4.9271 -5.1229 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9431 3.3916 -6.3326 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8998 3.2238 -4.5774 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7615 3.9584 -5.5694 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5665 5.3594 -6.3524 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1830 5.8798 -4.3557 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8824 6.3692 -4.0097 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8522 5.2217 -2.1376 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1307 4.0903 -2.7993 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0858 3.9078 -3.2401 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3788 2.7842 -3.9517 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1440 2.9314 -2.1998 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 2 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 2 0 16 17 1 0 17 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 28 29 1 0 29 30 2 0 29 31 1 0 29 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 26 36 1 0 36 37 1 0 37 38 2 0 37 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 2 0 47 48 1 0 48 49 2 0 49 50 1 0 50 51 2 0 50 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 1 57 1 0 1 58 1 0 1 59 1 0 2 60 1 0 2 61 1 0 3 62 1 0 3 63 1 0 4 64 1 0 4 65 1 0 5 66 1 0 5 67 1 0 6 68 1 0 7 69 1 0 8 70 1 0 8 71 1 0 9 72 1 0 10 73 1 0 11 74 1 0 11 75 1 0 12 76 1 0 13 77 1 0 14 78 1 0 14 79 1 0 15 80 1 0 16 81 1 0 17 82 1 0 17 83 1 0 18 84 1 0 18 85 1 0 19 86 1 0 19 87 1 0 20 88 1 0 20 89 1 0 21 90 1 0 21 91 1 0 25 92 1 0 25 93 1 0 26 94 1 6 27 95 1 0 27 96 1 0 31 97 1 0 33 98 1 0 33 99 1 0 34100 1 0 34101 1 0 35102 1 0 35103 1 0 39104 1 0 39105 1 0 40106 1 0 40107 1 0 41108 1 0 41109 1 0 42110 1 0 42111 1 0 43112 1 0 43113 1 0 44114 1 0 44115 1 0 45116 1 0 45117 1 0 46118 1 0 47119 1 0 48120 1 0 49121 1 0 52122 1 0 52123 1 0 53124 1 0 53125 1 0 54126 1 0 54127 1 0 55128 1 0 55129 1 0 56130 1 0 56131 1 0 56132 1 0 M END