HMDB0286486 RDKit 3D PC(20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/18:1(9Z)) 139138 0 0 0 0 0 0 0 0999 V2000 13.1922 5.8716 -0.3609 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6663 5.6243 0.0008 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7304 4.7470 1.1721 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2983 3.5724 1.2197 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9665 2.9494 0.0833 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2538 1.6187 -0.2140 C 0 0 1 0 0 0 0 0 0 0 0 0 15.3378 0.8164 0.8978 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8701 1.9619 -0.6223 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8605 1.0906 -0.5164 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5075 1.4349 -0.9206 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5632 0.5006 -0.7768 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1924 0.7228 -1.1411 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2638 -0.1722 -0.9938 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4977 -1.4792 -0.4501 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5803 -2.4005 -0.2891 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1911 -2.2372 -0.6374 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9531 -1.7223 -1.8955 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2849 -1.6438 0.3787 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6522 -2.1522 1.6454 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0138 -0.2021 0.3966 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3459 0.3392 -0.8264 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0031 -0.3131 -1.0823 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0429 -0.0841 0.0362 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4810 1.0452 0.1018 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7189 -0.9943 0.9973 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8570 -0.9229 2.0614 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5896 -0.7719 1.5860 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.8723 -2.0091 0.7699 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1610 -2.1103 0.3068 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4000 -3.5110 -0.6086 P 0 0 0 0 0 5 0 0 0 0 0 0 -3.6191 -3.3682 -1.4626 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0500 -3.6358 -1.6542 O 0 0 0 0 0 1 0 0 0 0 0 0 -2.4778 -4.9042 0.3095 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8993 -6.0116 -0.3200 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0249 -7.2233 0.5893 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4535 -8.4071 0.0184 N 0 0 0 0 0 4 0 0 0 0 0 0 -0.0206 -8.3393 -0.1227 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0371 -8.7185 -1.2723 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7580 -9.5153 0.9031 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8237 0.3638 0.8311 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6166 1.4589 1.2133 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1348 1.3580 2.3499 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7314 2.5493 0.2670 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6977 2.3775 -0.8150 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1417 2.2802 -0.6061 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7118 1.1851 0.1926 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2355 1.3175 0.2479 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8321 1.2414 -1.1017 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3620 1.3748 -1.0722 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7524 2.6493 -0.5141 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4942 2.7796 0.5465 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0175 1.6461 1.2945 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5625 1.6550 1.3133 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0845 1.5694 -0.1006 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5500 1.5844 -0.2515 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2467 2.8199 0.2596 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.7550 4.0701 -0.4510 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.4864 5.2824 0.0852 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.9656 5.1805 -0.1275 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8416 6.6762 0.3109 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1753 6.1582 -1.4299 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6231 4.9380 -0.1683 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2541 5.3607 -0.8669 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0693 6.6267 0.3441 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2406 5.1549 2.0889 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2469 3.0545 2.1978 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0375 2.7074 0.2765 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8365 3.5435 -0.8335 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7645 1.1038 -1.0566 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2874 -0.1383 0.7124 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6349 2.9376 -1.0221 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1331 0.1282 -0.1138 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2542 2.3805 -1.3166 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8970 -0.4343 -0.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9289 1.6926 -1.5602 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2500 0.0623 -1.3036 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5346 -1.7251 -0.1438 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9322 -3.3502 0.1483 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8288 -3.3627 -0.7884 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2096 -2.1524 -2.3671 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2265 -2.1290 0.2434 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8234 -3.1175 1.5068 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8913 0.4241 0.7067 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2760 -0.0202 1.2446 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1013 1.4328 -0.6925 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9632 0.2480 -1.7188 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5769 0.2062 -1.9773 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1368 -1.3653 -1.3477 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8517 -1.8895 2.6417 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1017 -0.1327 2.8081 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1679 -0.7449 2.5532 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1962 -1.9449 -0.1203 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5366 -2.9206 1.3167 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4299 -6.2421 -1.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8226 -5.8236 -0.4562 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5969 -7.0366 1.5867 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1178 -7.4592 0.7549 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4415 -9.3389 0.1105 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2596 -8.1329 -1.1775 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4490 -7.6203 0.5800 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9214 -9.8159 -1.5124 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4755 -8.2009 -2.0953 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1124 -8.4301 -1.2667 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3094 -9.2231 1.7995 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3619 -10.3008 0.3977 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8214 -10.0369 1.2508 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7049 2.6548 -0.2248 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8278 3.5536 0.7888 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5079 3.1954 -1.6109 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3599 1.4542 -1.4285 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5862 2.1618 -1.6640 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5317 3.2949 -0.2920 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3884 1.1273 1.2287 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5041 0.2082 -0.3390 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6104 0.4606 0.8410 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4559 2.2601 0.7835 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5738 0.2891 -1.5803 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5176 2.0622 -1.7910 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8442 0.4711 -0.7285 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6215 1.4229 -2.1807 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4052 3.5629 -1.0113 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7754 3.7828 0.9499 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7640 1.8562 2.3836 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6359 0.6602 1.0969 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8539 0.8135 1.9373 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8350 2.6537 1.7063 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7187 0.5910 -0.5104 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6195 2.3600 -0.7093 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7963 1.4936 -1.3327 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0424 0.7102 0.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2145 2.9519 1.3419 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.3214 2.7129 -0.0138 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6777 4.2528 -0.2506 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8857 3.9772 -1.5277 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2918 5.3495 1.1971 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0913 6.2240 -0.3223 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.3506 6.1734 -0.5072 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.5020 4.8843 0.7790 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.1531 4.4380 -0.9537 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 1 0 6 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 1 0 16 18 1 0 18 19 1 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 2 0 30 32 1 0 30 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 36 38 1 0 36 39 1 0 27 40 1 0 40 41 1 0 41 42 2 0 41 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 2 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 58 59 1 0 1 60 1 0 1 61 1 0 1 62 1 0 2 63 1 0 2 64 1 0 3 65 1 0 4 66 1 0 5 67 1 0 5 68 1 0 6 69 1 6 7 70 1 0 8 71 1 0 9 72 1 0 10 73 1 0 11 74 1 0 12 75 1 0 13 76 1 0 14 77 1 0 15 78 1 0 16 79 1 6 17 80 1 0 18 81 1 6 19 82 1 0 20 83 1 0 20 84 1 0 21 85 1 0 21 86 1 0 22 87 1 0 22 88 1 0 26 89 1 0 26 90 1 0 27 91 1 1 28 92 1 0 28 93 1 0 34 94 1 0 34 95 1 0 35 96 1 0 35 97 1 0 37 98 1 0 37 99 1 0 37100 1 0 38101 1 0 38102 1 0 38103 1 0 39104 1 0 39105 1 0 39106 1 0 43107 1 0 43108 1 0 44109 1 0 44110 1 0 45111 1 0 45112 1 0 46113 1 0 46114 1 0 47115 1 0 47116 1 0 48117 1 0 48118 1 0 49119 1 0 49120 1 0 50121 1 0 51122 1 0 52123 1 0 52124 1 0 53125 1 0 53126 1 0 54127 1 0 54128 1 0 55129 1 0 55130 1 0 56131 1 0 56132 1 0 57133 1 0 57134 1 0 58135 1 0 58136 1 0 59137 1 0 59138 1 0 59139 1 0 M CHG 2 32 -1 36 1 M END