HMDB0265950 RDKit 3D PA(22:4(7Z,10Z,13Z,16Z)/18:3(10,12,15)-OH(9)) 124123 0 0 0 0 0 0 0 0999 V2000 16.8236 1.8375 -0.9157 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7004 2.8669 -0.9973 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4990 2.1397 -1.5373 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3782 2.0503 -0.8419 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1552 1.3446 -1.3162 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8693 0.2625 -0.3395 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7247 0.2710 0.2996 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4400 -0.7866 1.2566 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2815 -0.8013 1.9238 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9233 -1.8281 2.9008 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7838 -1.7769 4.0258 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8147 -3.2176 2.4266 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7976 -3.5471 1.3882 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9873 -2.8583 0.0965 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0459 -3.1609 -0.9959 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6271 -2.7330 -0.9169 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7850 -3.1801 0.2022 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3321 -2.7146 0.0088 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2846 -1.2541 0.0428 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2560 -0.5024 0.2431 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0488 -0.6143 -0.1643 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9766 0.8100 -0.1435 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1203 1.2183 1.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1663 0.6441 0.8883 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1370 0.8616 1.8672 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7415 1.6017 2.8388 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5055 0.3437 1.8864 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4152 1.4980 1.4498 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0752 1.8895 0.0525 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8389 3.0088 -0.5260 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3279 2.8690 -0.6125 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8054 1.7400 -1.4105 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5991 0.8078 -0.9218 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1199 0.7472 0.4606 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7986 -0.4956 1.1653 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7336 -1.2709 1.6681 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2083 -1.0295 1.6114 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7116 -0.9291 2.9742 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3263 0.1162 3.4248 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5802 1.2953 2.6142 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0365 1.5344 2.5789 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7507 1.5277 1.5034 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1948 1.2757 0.1629 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8642 0.0527 -0.4368 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3619 -0.3163 -1.7907 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0893 -1.5390 -2.3191 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9078 -2.7271 -1.4011 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4932 1.3077 -1.4442 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2442 0.9081 -1.8447 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1630 1.5385 -3.3651 P 0 0 0 0 0 5 0 0 0 0 0 0 1.0495 2.2404 -3.9818 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3942 2.6884 -3.2822 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6775 0.2674 -4.3447 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1389 1.4970 -1.9038 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6789 2.3400 -0.4265 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4959 0.9739 -0.3137 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9941 3.6850 -1.6566 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4468 3.2090 0.0163 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5003 1.6611 -2.5140 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3495 2.5227 0.1365 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3178 2.0855 -1.3276 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2999 0.9146 -2.3214 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6159 -0.4923 -0.1889 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0161 1.0540 0.1073 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1482 -1.5655 1.4398 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6180 0.0368 1.6757 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9144 -1.5419 3.3132 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5946 -2.3287 3.8021 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6225 -3.9202 3.2847 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8078 -3.5842 2.0232 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8815 -4.6774 1.2405 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8060 -3.4180 1.8604 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0486 -2.9707 -0.2521 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9075 -1.7377 0.2920 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0864 -4.2732 -1.2204 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4849 -2.7274 -1.9580 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1046 -2.9246 -1.9221 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6662 -1.5927 -0.9156 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7772 -4.2324 0.4510 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0500 -2.5749 1.1475 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6758 -3.1859 0.7626 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9707 -3.1263 -0.9821 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0252 1.2088 0.0003 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5966 0.9046 1.9955 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0726 2.3269 1.0898 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6670 -0.4760 1.1456 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8199 -0.0593 2.8609 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2094 2.3018 2.1890 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4578 1.1606 1.4957 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1250 1.0287 -0.6599 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9878 2.1804 0.0315 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6094 4.0013 -0.0751 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4954 3.1295 -1.6031 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7641 2.9281 0.4002 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6604 3.8643 -1.0972 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5004 1.6493 -2.4647 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9000 0.0024 -1.6188 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2271 0.8739 0.3720 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7969 1.5716 1.1114 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7368 -0.7790 1.2610 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3460 -2.1808 2.1744 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6065 -2.0557 1.2512 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5601 -0.3619 0.8607 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5490 -1.8006 3.6354 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6995 0.1713 4.4717 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1924 2.1711 3.2632 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0374 1.4133 1.7024 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5525 1.7346 3.5430 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8530 1.7233 1.5716 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5009 2.1211 -0.5435 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1227 1.2491 0.1321 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9525 0.3207 -0.5567 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7063 -0.7746 0.2850 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2619 -0.5491 -1.7826 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5102 0.4886 -2.5160 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6378 -1.7991 -3.3026 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1370 -1.2859 -2.4808 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2363 -3.6692 -1.8576 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5939 -2.5296 -0.5253 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8968 -2.8446 -1.0186 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4628 2.4383 -1.3939 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2378 1.0973 -2.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2506 2.2825 -3.5640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1648 -0.5656 -4.1851 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 2 0 9 10 1 0 10 11 1 0 10 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 1 0 19 20 2 0 19 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 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 2 0 33 34 1 0 34 35 1 0 35 36 2 0 36 37 1 0 37 38 1 0 38 39 2 0 39 40 1 0 40 41 1 0 41 42 2 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 22 48 1 0 48 49 1 0 49 50 1 0 50 51 2 0 50 52 1 0 50 53 1 0 1 54 1 0 1 55 1 0 1 56 1 0 2 57 1 0 2 58 1 0 3 59 1 0 4 60 1 0 5 61 1 0 5 62 1 0 6 63 1 0 7 64 1 0 8 65 1 0 9 66 1 0 10 67 1 0 11 68 1 0 12 69 1 0 12 70 1 0 13 71 1 0 13 72 1 0 14 73 1 0 14 74 1 0 15 75 1 0 15 76 1 0 16 77 1 0 16 78 1 0 17 79 1 0 17 80 1 0 18 81 1 0 18 82 1 0 22 83 1 1 23 84 1 0 23 85 1 0 27 86 1 0 27 87 1 0 28 88 1 0 28 89 1 0 29 90 1 0 29 91 1 0 30 92 1 0 30 93 1 0 31 94 1 0 31 95 1 0 32 96 1 0 33 97 1 0 34 98 1 0 34 99 1 0 35100 1 0 36101 1 0 37102 1 0 37103 1 0 38104 1 0 39105 1 0 40106 1 0 40107 1 0 41108 1 0 42109 1 0 43110 1 0 43111 1 0 44112 1 0 44113 1 0 45114 1 0 45115 1 0 46116 1 0 46117 1 0 47118 1 0 47119 1 0 47120 1 0 48121 1 0 48122 1 0 52123 1 0 53124 1 0 M END