HMDB0291523 RDKit 3D CDP-DG(18:3(6Z,9Z,12Z)/PGJ2) 149151 0 0 0 0 0 0 0 0999 V2000 18.3063 1.0717 -0.0711 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6050 -0.2994 0.4710 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3193 -1.1118 0.4251 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2628 -0.4351 1.2737 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9857 -1.2703 1.2073 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9164 -0.6775 2.0045 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7876 -0.2743 1.5324 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4755 -0.3857 0.0658 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2219 0.9875 -0.3810 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1566 1.4618 -0.9350 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9300 0.7789 -1.2734 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7256 -0.6286 -1.1022 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8417 -1.1657 -0.3013 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9202 -0.4198 0.5504 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4700 -0.7151 0.1909 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1839 -0.3334 -1.2421 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7476 -0.6316 -1.5941 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7873 0.1224 -0.7164 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4895 -0.3090 0.4330 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1990 1.3029 -1.1273 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2994 2.0509 -0.3750 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0235 1.2635 -0.0437 C 0 0 2 0 0 0 0 0 0 0 0 0 0.3473 1.0676 -1.4138 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2228 0.4997 -2.3191 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4519 -0.3651 -3.5275 P 0 0 0 0 0 5 0 0 0 0 0 0 0.9834 -1.7634 -3.6027 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6588 0.3553 -5.0516 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2088 -0.3372 -3.1975 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7417 -1.8895 -2.8027 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.0586 -2.9463 -3.6374 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3056 -2.1886 -1.1972 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4350 -1.9589 -2.9805 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9314 -2.6592 -1.9088 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1368 -1.9688 -1.2499 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.1492 -0.6438 -1.4097 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5523 0.2028 -0.5203 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.8851 1.5561 -0.9122 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5424 2.6694 -0.2641 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9076 3.9210 -0.7271 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6435 4.0557 -1.8837 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0299 5.3308 -2.3743 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.9738 2.9329 -2.5139 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.6182 1.7297 -2.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9813 0.7388 -2.7368 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8421 -0.0318 0.9046 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.0631 0.6802 1.3257 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1901 0.0684 1.6632 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7567 -1.0996 1.0405 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0737 -2.1005 1.7734 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.0228 -1.2746 -0.4170 C 0 0 2 0 0 0 0 0 0 0 0 0 -9.5193 -1.2334 -0.5789 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3476 -1.0747 0.4255 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8343 -1.0494 0.1383 C 0 0 1 0 0 0 0 0 0 0 0 0 -12.5057 -1.5911 1.2401 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.1863 0.3873 -0.0996 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6021 0.6697 -0.4204 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.5965 0.2762 0.6295 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.0036 0.6545 0.1750 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.9227 0.2070 1.3175 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5460 -2.5918 -0.9305 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.2146 -3.4055 0.1345 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4146 -2.5109 -1.9319 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.1703 -3.8245 -2.3640 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6370 0.3491 1.7377 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0817 -0.8584 2.4844 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9064 -0.7017 3.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2105 0.6034 3.2507 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3099 0.4069 3.2144 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9471 1.7444 3.0185 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3334 2.5689 1.9615 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0121 3.7457 2.2468 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1373 2.0243 0.7145 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6066 0.9956 -0.9369 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8637 1.7414 0.6966 H 0 0 0 0 0 0 0 0 0 0 0 0 19.2311 1.5479 -0.4447 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9512 -0.2518 1.5280 H 0 0 0 0 0 0 0 0 0 0 0 0 19.3282 -0.7957 -0.1884 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9242 -1.1232 -0.6260 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5337 -2.1311 0.7602 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6454 -0.3999 2.3221 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1149 0.5889 0.8913 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7723 -1.5982 0.2119 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3081 -2.2399 1.7509 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1054 -0.5728 3.0968 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0248 0.1554 2.1561 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3667 -0.7379 -0.5085 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7003 -1.1133 -0.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0822 1.6882 -0.2031 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1919 2.5766 -1.1925 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0478 1.3636 -0.8212 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7300 1.0436 -2.4017 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3429 -1.3307 -1.7463 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7843 -2.2627 -0.2628 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0477 -0.8402 1.6097 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0964 0.6508 0.6562 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8013 -0.1316 0.8396 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2755 -1.7972 0.3269 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4665 0.7242 -1.4274 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8077 -0.9726 -1.8898 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5784 -1.7017 -1.3992 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5682 -0.4438 -2.6603 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6949 2.4045 0.5979 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0546 2.9598 -0.9677 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2523 0.2664 0.3110 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1320 2.1135 -1.7715 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6248 0.5769 -1.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1187 0.0448 -5.6096 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6286 -1.4709 -0.5726 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1539 -2.7916 -1.0958 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2630 -3.6942 -2.1338 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1988 -2.4190 -0.2629 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4342 0.1353 -0.6634 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9588 2.5640 0.6423 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5903 4.7662 -0.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1643 5.4498 -3.3906 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1777 6.1344 -1.7439 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9502 -1.1385 1.1476 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0639 1.7500 1.3770 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7512 0.4966 2.5123 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6590 -0.3955 -0.9560 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9266 -1.3410 -1.5755 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0374 -0.9590 1.4306 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0818 -1.6715 -0.7329 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6835 -2.5628 1.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8424 0.9669 0.8110 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5781 0.7231 -0.9907 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6975 1.7642 -0.6308 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8231 0.1609 -1.4009 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3764 0.7813 1.5681 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5534 -0.8293 0.7935 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.0794 1.7250 0.0015 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.2101 0.0699 -0.7428 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.4722 0.5146 2.2858 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.9229 0.6460 1.1756 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.9798 -0.9007 1.3524 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3708 -3.1336 -1.4850 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9306 -4.0693 0.3344 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6434 -1.9123 -2.8095 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4246 -4.4422 -1.6547 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8392 1.1579 2.4691 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7819 0.6462 1.0955 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6230 -1.7783 2.5217 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3531 -1.5648 3.4867 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4641 1.0295 4.2598 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5101 1.3709 2.5143 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6170 -0.3749 2.5245 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5519 0.0014 4.2406 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0371 1.5336 2.7974 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9958 2.3046 3.9979 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 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 2 0 29 31 1 0 29 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 2 0 39 40 1 0 40 41 1 0 40 42 2 0 42 43 1 0 43 44 2 0 36 45 1 0 45 46 1 0 46 47 2 0 47 48 1 0 48 49 2 0 48 50 1 0 50 51 1 0 51 52 2 0 52 53 1 0 53 54 1 0 53 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 58 59 1 0 50 60 1 0 60 61 1 0 60 62 1 0 62 63 1 0 45 64 1 0 64 65 1 0 65 66 2 0 66 67 1 0 67 68 1 0 68 69 1 0 69 70 1 0 70 71 2 0 70 72 1 0 72 22 1 0 62 34 1 0 43 37 1 0 1 73 1 0 1 74 1 0 1 75 1 0 2 76 1 0 2 77 1 0 3 78 1 0 3 79 1 0 4 80 1 0 4 81 1 0 5 82 1 0 5 83 1 0 6 84 1 0 7 85 1 0 8 86 1 0 8 87 1 0 9 88 1 0 10 89 1 0 11 90 1 0 11 91 1 0 12 92 1 0 13 93 1 0 14 94 1 0 14 95 1 0 15 96 1 0 15 97 1 0 16 98 1 0 16 99 1 0 17100 1 0 17101 1 0 21102 1 0 21103 1 0 22104 1 1 23105 1 0 23106 1 0 27107 1 0 31108 1 0 33109 1 0 33110 1 0 34111 1 1 36112 1 1 38113 1 0 39114 1 0 41115 1 0 41116 1 0 45117 1 6 46118 1 0 47119 1 0 50120 1 6 51121 1 0 52122 1 0 53123 1 6 54124 1 0 55125 1 0 55126 1 0 56127 1 0 56128 1 0 57129 1 0 57130 1 0 58131 1 0 58132 1 0 59133 1 0 59134 1 0 59135 1 0 60136 1 6 61137 1 0 62138 1 6 63139 1 0 64140 1 0 64141 1 0 65142 1 0 66143 1 0 67144 1 0 67145 1 0 68146 1 0 68147 1 0 69148 1 0 69149 1 0 M END