HMDB0286764 RDKit 3D PC(18:3(9Z,12Z,15Z)/TXB2) 140140 0 0 0 0 0 0 0 0999 V2000 -5.2679 -0.7057 1.3443 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9608 -0.4550 -0.1231 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2109 -0.0984 -0.7744 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4119 1.0343 -1.3764 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3863 2.0808 -1.4615 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8359 3.3402 -0.8262 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1991 3.8865 0.1571 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9587 3.3313 0.7647 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8816 4.3696 0.5429 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2244 4.9965 1.4658 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4087 4.8053 2.9011 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1191 4.4306 3.5991 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4701 3.1712 3.2291 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2282 1.9005 3.5533 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3713 0.7575 3.1224 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8506 -0.6021 3.4179 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1566 -1.0351 2.8628 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3810 -2.4645 3.3203 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4973 -2.8401 3.7359 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3627 -3.3839 3.2894 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5239 -4.7110 3.6952 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2189 -5.4865 3.5607 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8010 -4.8082 4.4489 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0249 -5.4977 4.3854 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0862 -4.6500 5.4205 P 0 0 0 0 0 5 0 0 0 0 0 0 4.4742 -5.1755 5.2543 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5293 -4.9490 7.0050 O 0 0 0 0 0 1 0 0 0 0 0 0 2.9774 -2.9849 5.0906 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9771 -2.6606 4.1998 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9965 -1.2145 3.8204 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1880 -0.3100 4.9110 N 0 0 0 0 0 4 0 0 0 0 0 0 5.1365 -0.7742 5.9027 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7621 0.9175 4.3449 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9656 0.0713 5.5808 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2531 -5.4791 2.2519 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4683 -6.5436 1.4262 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2341 -7.6908 1.8361 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9856 -6.3109 0.0314 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1741 -4.8441 -0.1537 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6837 -4.5001 -1.5317 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7783 -4.9308 -2.6025 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2108 -4.0866 -3.4429 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3704 -2.6345 -3.4589 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9508 -2.0769 -4.7423 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0981 -2.3997 -5.9352 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.2050 -1.9268 -5.7999 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6950 -1.7611 -7.1578 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9463 -0.2727 -6.9413 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7790 0.1312 -7.9976 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6526 -0.0731 -5.7654 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0120 -0.5544 -4.6410 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7959 -0.0985 -3.4657 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2405 0.2040 -2.2780 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0340 0.6535 -1.1263 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7493 -0.4830 -0.6352 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9964 1.7109 -1.3855 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7538 3.0712 -1.7959 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0279 3.5430 -2.9650 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5667 3.3762 -2.9800 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0299 3.9166 -4.2896 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9754 0.1191 1.9906 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8131 -1.6427 1.7066 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3778 -0.8617 1.4866 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0925 0.1657 -0.2771 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6566 -1.4809 -0.5150 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0215 -0.8586 -0.7386 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3878 1.2759 -1.8666 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3753 2.3508 -2.5938 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3663 1.8103 -1.2719 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7636 3.8419 -1.2114 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6097 4.8339 0.5724 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1749 3.2220 1.8341 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5843 2.4149 0.3370 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6353 4.6124 -0.5034 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4518 5.7461 1.1522 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1398 4.0599 3.1884 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6998 5.8279 3.3188 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3853 5.2911 3.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2803 4.4347 4.7155 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1556 3.1030 2.1601 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5118 3.1233 3.7884 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3252 1.8454 4.6729 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2410 1.8943 3.1475 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1924 0.8775 2.0126 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6265 0.8832 3.6012 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0865 -1.3504 3.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8431 -0.8183 4.5336 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0239 -0.4636 3.2437 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1416 -1.0497 1.7746 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3611 -5.2397 3.1913 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7724 -4.7138 4.7860 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4232 -6.5234 3.8991 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0038 -3.8111 3.9944 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4402 -4.7177 5.4932 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7880 -3.2444 3.2714 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9732 -3.0224 4.5682 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8223 -1.0679 3.0872 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0155 -0.9875 3.3417 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5840 -1.4174 6.6364 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0296 -1.2440 5.4893 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4876 0.1014 6.5057 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8311 0.7869 4.1008 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2450 1.1228 3.3748 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5745 1.7864 4.9855 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1273 -0.3586 4.9980 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9247 -0.3010 6.6302 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8269 1.1604 5.6169 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8790 -6.9104 -0.1598 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1738 -6.6862 -0.6404 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9280 -4.4638 0.5675 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2254 -4.3280 0.1021 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9950 -3.4604 -1.5957 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6648 -5.0837 -1.6124 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5619 -5.9869 -2.7145 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4514 -4.5289 -4.2101 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9238 -2.1954 -2.6147 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6540 -2.1394 -3.3880 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9631 -2.4471 -4.9055 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0913 -3.5069 -6.1262 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2780 -0.9739 -6.0829 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6882 -2.1917 -7.4121 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0234 -1.8252 -8.0403 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0145 0.3208 -7.0048 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8399 1.1151 -8.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0276 -0.1372 -4.6299 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8666 0.0003 -3.5537 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1633 0.0866 -2.2386 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3095 0.9300 -0.2988 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1720 -0.1722 0.2101 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7681 1.7255 -0.5046 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7211 1.2621 -2.1937 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8170 3.5722 -1.8528 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3894 3.6518 -0.8497 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4948 3.1504 -3.9407 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2089 4.6720 -3.1073 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1186 4.0943 -2.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1658 2.4234 -2.7189 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0981 3.6444 -4.2563 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4174 3.4339 -5.1705 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0308 5.0243 -4.2997 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 2 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 45 47 1 0 47 48 1 0 48 49 1 0 48 50 1 0 50 51 1 0 51 52 1 0 52 53 2 0 53 54 1 0 54 55 1 0 54 56 1 0 56 57 1 0 57 58 1 0 58 59 1 0 59 60 1 0 51 44 1 0 1 61 1 0 1 62 1 0 1 63 1 0 2 64 1 0 2 65 1 0 3 66 1 0 4 67 1 0 5 68 1 0 5 69 1 0 6 70 1 0 7 71 1 0 8 72 1 0 8 73 1 0 9 74 1 0 10 75 1 0 11 76 1 0 11 77 1 0 12 78 1 0 12 79 1 0 13 80 1 0 13 81 1 0 14 82 1 0 14 83 1 0 15 84 1 0 15 85 1 0 16 86 1 0 16 87 1 0 17 88 1 0 17 89 1 0 21 90 1 0 21 91 1 0 22 92 1 1 23 93 1 0 23 94 1 0 29 95 1 0 29 96 1 0 30 97 1 0 30 98 1 0 32 99 1 0 32100 1 0 32101 1 0 33102 1 0 33103 1 0 33104 1 0 34105 1 0 34106 1 0 34107 1 0 38108 1 0 38109 1 0 39110 1 0 39111 1 0 40112 1 0 40113 1 0 41114 1 0 42115 1 0 43116 1 0 43117 1 0 44118 1 6 45119 1 6 46120 1 0 47121 1 0 47122 1 0 48123 1 0 49124 1 0 51125 1 1 52126 1 0 53127 1 0 54128 1 1 55129 1 0 56130 1 0 56131 1 0 57132 1 0 57133 1 0 58134 1 0 58135 1 0 59136 1 0 59137 1 0 60138 1 0 60139 1 0 60140 1 0 M CHG 2 27 -1 31 1 M END