HMDB0008204 RDKit 3D PC(18:3(9Z,12Z,15Z)/18:2(9Z,12Z)) 132131 0 0 0 0 0 0 0 0999 V2000 -1.6134 4.5773 -8.8538 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9011 3.0674 -9.0515 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8432 2.7130 -10.4676 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0537 1.8136 -10.9600 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0907 0.9899 -10.1956 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3922 -0.3981 -10.4530 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6681 -1.3143 -9.6162 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7470 -1.1873 -8.1702 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0622 -1.5843 -7.6480 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8573 -0.8682 -6.9238 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4981 0.5102 -6.5182 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4438 0.6694 -5.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7586 0.3575 -4.3496 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7016 0.5193 -2.8372 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3598 1.9089 -2.4377 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2707 2.1742 -0.9732 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2414 1.3475 -0.2508 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2370 1.7830 1.1913 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0118 2.6902 1.5977 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3878 1.2188 2.1307 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3807 1.6579 3.4942 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3272 0.8132 4.1875 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.9069 -0.6024 4.1395 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1538 -0.9190 2.8218 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8315 -2.4669 2.6967 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.0263 -3.4772 3.4495 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3592 -2.3909 3.4438 O 0 0 0 0 0 1 0 0 0 0 0 0 -2.0685 -2.9076 1.0861 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3859 -3.2655 0.9020 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7117 -3.6734 -0.5104 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9696 -4.7948 -0.9958 N 0 0 0 0 0 4 0 0 0 0 0 0 -1.7970 -4.3791 -1.7630 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8136 -5.5602 -1.9201 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5310 -5.7154 0.0244 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1202 1.1294 5.5077 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1533 1.4998 5.9607 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0318 1.5060 5.1032 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4245 1.8595 7.3457 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8332 2.2763 7.5658 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8322 1.1973 7.3142 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2451 1.7110 7.6094 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6469 2.8516 6.7112 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7701 2.4375 5.2873 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1014 3.6418 4.3992 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0170 4.6114 4.4048 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3469 4.9769 3.3651 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4668 4.5784 1.9937 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5375 3.7694 1.4793 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4760 2.5593 0.9780 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2109 1.7902 0.8655 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4302 0.5028 1.6943 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1646 -0.2930 1.6036 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2681 -1.5870 2.3896 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9528 -2.3144 2.2543 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8810 4.7604 -7.7722 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5710 4.8303 -9.0213 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3609 5.1011 -9.4557 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2128 2.5193 -8.4109 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9290 2.9185 -8.6763 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5481 3.2909 -11.1301 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1260 1.6683 -12.0671 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9182 1.1876 -10.6979 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0758 1.2804 -9.1661 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3813 -0.6912 -11.5356 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8908 -2.3793 -9.9693 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0484 -2.0191 -7.7765 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2892 -0.2964 -7.7385 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3984 -2.6148 -7.9114 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8459 -1.2866 -6.5863 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3276 1.1809 -6.8492 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5858 0.8738 -6.9820 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2325 1.7636 -4.8245 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6357 0.0454 -4.5921 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5944 0.9348 -4.7895 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9843 -0.7142 -4.5516 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9658 -0.2400 -2.4923 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7418 0.3102 -2.4725 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1917 2.5664 -2.8337 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4468 2.3139 -2.9484 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0190 3.2590 -0.8561 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2486 2.0557 -0.4496 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2433 1.6735 -0.6705 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3659 0.2735 -0.3605 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3681 1.4719 3.9653 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1585 2.7212 3.4837 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5558 0.8240 3.5248 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2332 -1.3315 4.6391 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8866 -0.6257 4.6819 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6636 -4.0140 1.6450 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0260 -2.3670 1.1226 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7941 -3.9074 -0.6116 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5290 -2.8111 -1.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1373 -3.7086 -1.2112 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3231 -5.3185 -2.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1960 -3.8293 -2.6470 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1910 -6.1731 -2.6005 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4155 -6.2957 -1.3179 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5204 -4.9118 -2.4609 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2760 -6.5330 0.2073 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1916 -5.2384 0.9522 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6231 -6.2520 -0.3818 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1241 1.0529 8.0689 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7465 2.7478 7.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0875 3.2232 7.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9817 2.5817 8.6456 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6619 0.3928 8.0767 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7785 0.7198 6.3300 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9251 0.8697 7.4845 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2300 2.0632 8.6392 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6883 3.1338 7.0526 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0482 3.7622 6.8968 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8599 1.9176 4.9635 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6238 1.7405 5.1886 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9410 4.1373 5.0163 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6045 3.3616 3.4974 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7499 5.0775 5.4093 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5327 5.7446 3.6096 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4436 4.2352 1.6119 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5418 5.5655 1.3869 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5494 4.2618 1.4714 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3796 2.0784 0.6215 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3326 2.2571 1.3010 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0842 1.4313 -0.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3069 0.0071 1.2593 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6421 0.8132 2.7572 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9773 -0.5186 0.5320 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3573 0.3227 2.0448 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1356 -2.1935 2.0958 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3863 -1.2734 3.4601 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2127 -1.7063 1.6955 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4911 -2.4625 3.2759 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0523 -3.3374 1.8368 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 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 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 2 0 25 27 1 0 25 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 31 33 1 0 31 34 1 0 22 35 1 0 35 36 1 0 36 37 2 0 36 38 1 0 38 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 2 0 46 47 1 0 47 48 1 0 48 49 2 0 49 50 1 0 50 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 4 61 1 0 5 62 1 0 5 63 1 0 6 64 1 0 7 65 1 0 8 66 1 0 8 67 1 0 9 68 1 0 10 69 1 0 11 70 1 0 11 71 1 0 12 72 1 0 12 73 1 0 13 74 1 0 13 75 1 0 14 76 1 0 14 77 1 0 15 78 1 0 15 79 1 0 16 80 1 0 16 81 1 0 17 82 1 0 17 83 1 0 21 84 1 0 21 85 1 0 22 86 1 6 23 87 1 0 23 88 1 0 29 89 1 0 29 90 1 0 30 91 1 0 30 92 1 0 32 93 1 0 32 94 1 0 32 95 1 0 33 96 1 0 33 97 1 0 33 98 1 0 34 99 1 0 34100 1 0 34101 1 0 38102 1 0 38103 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 46117 1 0 47118 1 0 47119 1 0 48120 1 0 49121 1 0 50122 1 0 50123 1 0 51124 1 0 51125 1 0 52126 1 0 52127 1 0 53128 1 0 53129 1 0 54130 1 0 54131 1 0 54132 1 0 M CHG 2 27 -1 31 1 M END