HMDB0010683 RDKit 3D PG(18:3(9Z,12Z,15Z)/20:3(5Z,8Z,11Z)) 130129 0 0 0 0 0 0 0 0999 V2000 4.9138 -3.5496 3.3280 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3345 -3.4005 4.7365 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4078 -3.3514 5.7366 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6200 -2.3407 6.5197 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8208 -1.0850 6.5319 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2558 -0.8881 7.8878 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9918 -0.8095 8.2113 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8908 -0.9188 7.2008 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0583 -2.0603 7.6468 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2099 -1.9040 7.9406 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9151 -0.6124 7.8572 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0482 -0.8331 6.8366 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8223 0.4476 6.6175 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9494 1.5465 6.0812 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3106 1.2305 4.7506 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2757 0.9920 3.6418 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5362 0.6895 2.3679 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7218 -0.5302 2.3981 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7366 -1.2869 3.3932 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1047 -0.9241 1.3484 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8666 -2.1405 1.4508 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6779 -2.3476 0.1972 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1971 -3.7642 0.0643 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6425 -3.9700 -1.2563 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2318 -5.5109 -1.5224 P 0 0 0 0 0 5 0 0 0 0 0 0 2.7303 -6.0652 -2.8590 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9211 -5.4967 -1.6177 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7172 -6.5843 -0.3221 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7682 -7.4561 0.0258 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3345 -8.4227 1.0971 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2887 -9.2017 0.6766 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5284 -9.1944 1.5963 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1241 -9.9712 2.6879 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6108 -1.3572 -0.0722 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5490 -0.4753 -1.1477 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5389 -0.6406 -1.8883 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5693 0.5493 -1.3965 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1642 1.9811 -1.2279 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0521 2.3222 -2.1573 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6081 3.7146 -2.1296 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4044 4.0663 -1.8059 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6666 3.2168 -1.4280 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9004 3.0433 -2.1402 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3112 3.5111 -3.2685 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5693 4.3979 -4.1806 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3372 5.6351 -4.3288 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7448 6.0262 -5.5119 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4548 5.2655 -6.6922 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6945 4.7448 -7.4586 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4565 5.9034 -7.9423 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6748 5.7220 -8.7322 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8717 5.0777 -8.2154 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8432 3.6851 -7.7275 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3829 2.6656 -8.7289 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4368 1.3066 -8.0226 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7130 -2.5791 2.7963 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9864 -3.7449 3.3563 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4232 -4.3529 2.7604 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5673 -2.6395 4.7899 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7973 -4.3840 4.9188 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0544 -4.2231 5.8110 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4613 -2.3922 7.2501 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0865 -1.0451 5.7514 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5463 -0.2100 6.3845 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9641 -0.7953 8.7451 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6874 -0.6573 9.2589 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2882 -1.2250 6.1992 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4186 0.0529 7.1665 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5688 -3.0256 7.7117 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7530 -2.8174 8.2663 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3314 0.2466 7.6086 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4531 -0.4629 8.8484 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7555 -1.5440 7.3404 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5908 -1.2387 5.9458 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1928 0.7808 7.6068 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6634 0.3116 5.9433 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6200 2.4254 5.9197 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1747 1.8756 6.7747 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5669 0.4516 4.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7356 2.1637 4.4719 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9881 0.1649 3.8545 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9179 1.8917 3.4841 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8764 1.5668 2.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2936 0.5679 1.5569 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1435 -2.9746 1.5182 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5251 -2.0913 2.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9057 -2.2651 -0.6406 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3854 -4.4910 0.2332 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0113 -3.9430 0.7666 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2543 -4.7860 -2.2079 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6512 -6.8699 0.2839 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9930 -8.0283 -0.9104 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9668 -7.8370 1.9796 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3137 -9.4048 -0.2729 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9153 -9.8064 0.7782 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3173 -8.4599 1.8632 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1799 -9.7770 2.9270 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9699 0.4724 -2.4590 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4652 0.2923 -0.7701 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9240 2.1626 -0.1592 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0731 2.5862 -1.5209 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2796 1.5711 -2.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4909 2.1208 -3.2035 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3640 4.4908 -2.4044 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2179 5.1738 -1.7957 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2814 2.1646 -1.1564 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0230 3.5083 -0.3393 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6581 2.3701 -1.6209 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3262 3.2362 -3.6165 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5084 3.7778 -5.1262 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5578 4.6104 -3.8237 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5454 6.1963 -3.4243 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3212 6.9686 -5.6388 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7150 4.5061 -6.7481 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0672 6.0567 -7.4641 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1601 4.0671 -6.7495 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2633 4.2143 -8.3490 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6368 6.5862 -7.0529 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7389 6.5286 -8.5655 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9929 6.7688 -9.0713 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4554 5.2498 -9.7560 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6393 5.0974 -9.0674 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4099 5.7270 -7.4514 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3888 3.5543 -6.7330 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9392 3.3781 -7.5225 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3381 2.7911 -9.0544 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1145 2.6247 -9.5478 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4328 1.0711 -7.5674 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7010 0.4839 -8.7172 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1969 1.3237 -7.2189 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 30 32 1 0 32 33 1 0 22 34 1 0 34 35 1 0 35 36 2 0 35 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 2 0 41 42 1 0 42 43 1 0 43 44 2 0 44 45 1 0 45 46 1 0 46 47 2 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 1 56 1 0 1 57 1 0 1 58 1 0 2 59 1 0 2 60 1 0 3 61 1 0 4 62 1 0 5 63 1 0 5 64 1 0 6 65 1 0 7 66 1 0 8 67 1 0 8 68 1 0 9 69 1 0 10 70 1 0 11 71 1 0 11 72 1 0 12 73 1 0 12 74 1 0 13 75 1 0 13 76 1 0 14 77 1 0 14 78 1 0 15 79 1 0 15 80 1 0 16 81 1 0 16 82 1 0 17 83 1 0 17 84 1 0 21 85 1 0 21 86 1 0 22 87 1 6 23 88 1 0 23 89 1 0 27 90 1 0 29 91 1 0 29 92 1 0 30 93 1 1 31 94 1 0 32 95 1 0 32 96 1 0 33 97 1 0 37 98 1 0 37 99 1 0 38100 1 0 38101 1 0 39102 1 0 39103 1 0 40104 1 0 41105 1 0 42106 1 0 42107 1 0 43108 1 0 44109 1 0 45110 1 0 45111 1 0 46112 1 0 47113 1 0 48114 1 0 48115 1 0 49116 1 0 49117 1 0 50118 1 0 50119 1 0 51120 1 0 51121 1 0 52122 1 0 52123 1 0 53124 1 0 53125 1 0 54126 1 0 54127 1 0 55128 1 0 55129 1 0 55130 1 0 M END