HMDB0010688 RDKit 3D PG(18:3(9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z)) 132131 0 0 0 0 0 0 0 0999 V2000 0.9250 1.9579 -7.6437 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4035 2.3767 -7.8058 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9980 2.3600 -6.4762 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5453 3.4145 -5.9088 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6730 4.7265 -6.4328 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0979 5.9308 -5.8867 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3117 6.0679 -4.8781 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8224 4.9412 -4.0576 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3150 5.1032 -2.6712 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5132 5.1792 -1.6640 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0287 5.1207 -1.7231 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4882 6.3933 -1.1132 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2504 6.3524 -0.0768 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6924 5.1282 0.6006 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1553 5.0085 0.6843 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8305 4.0373 0.1628 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2431 2.9401 -0.5763 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4676 1.5628 0.0391 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8233 1.4873 1.4053 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0404 0.1301 2.0177 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3317 0.0160 3.3623 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8662 0.1498 3.1918 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3328 0.1421 2.0288 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0381 0.2924 4.2310 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4282 0.4204 3.9806 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1244 -0.7507 4.6030 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6960 -1.9558 4.0046 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9048 -2.2557 2.6783 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4867 -1.4840 1.8940 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4306 -3.5810 2.0787 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4617 -4.5974 2.4196 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3607 -5.9690 1.9142 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1900 -6.7874 2.1981 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1240 -6.4580 1.5534 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0147 -6.5302 0.0265 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3482 -6.2934 -0.6295 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3026 -7.3117 -0.1496 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4416 -7.0671 0.4177 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9350 -5.6885 0.6486 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2508 -5.6071 -0.1092 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4026 -5.3447 0.4275 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5948 -5.0886 1.8328 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0876 -3.8007 2.2983 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3593 -2.7218 1.6253 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2529 -2.4612 0.2068 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2846 -1.2881 -0.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0076 1.7271 4.4833 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3617 1.6934 4.1339 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1922 3.0880 4.5685 P 0 0 0 0 0 5 0 0 0 0 0 0 4.5898 3.0768 6.0056 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1661 4.4226 4.2724 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5242 3.2751 3.5211 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6361 4.5815 3.1231 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8092 4.7769 2.1666 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0140 4.4211 2.7381 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4714 3.9839 0.9248 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4450 4.1592 -0.0561 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9187 1.0035 -7.0704 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3555 2.7565 -7.1291 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4635 1.7112 -8.6192 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3686 3.3188 -8.3474 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8768 1.6260 -8.5055 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9780 1.3844 -5.9240 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9933 3.1970 -4.9064 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8291 4.9485 -6.6409 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3612 4.7215 -7.5502 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3476 6.9314 -6.3905 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9443 7.0873 -4.5559 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6877 5.1292 -4.0564 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9998 3.9396 -4.3742 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4180 5.1599 -2.5187 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0037 5.3024 -0.6671 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2621 4.2128 -1.1757 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3207 5.1315 -2.7518 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1752 7.3382 -1.6045 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5988 7.3164 0.3377 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3909 5.3286 1.7091 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1684 4.2061 0.4019 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6578 5.8395 1.2435 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9438 4.0044 0.2649 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8048 2.8770 -1.5629 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2023 2.9989 -0.8551 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9155 0.8386 -0.6018 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5234 1.3300 0.0103 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7495 1.6793 1.3107 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3058 2.2652 2.0835 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6348 -0.6516 1.3568 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1333 -0.0560 2.1419 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5548 -0.9791 3.7838 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7407 0.7565 4.0908 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6003 0.3783 2.8759 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8713 -0.8517 5.6924 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2455 -0.6528 4.5001 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4656 -3.8256 2.6107 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2263 -3.4881 1.0114 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5931 -4.6070 3.5642 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5104 -4.1874 2.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3381 -6.5429 2.1136 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4269 -5.9111 0.7607 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0451 -6.7876 3.3387 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4550 -7.8655 1.9353 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6201 -5.5708 1.9009 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8542 -7.3025 1.8126 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3464 -7.5286 -0.2915 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7450 -5.7881 -0.3213 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1464 -6.4314 -1.7347 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6597 -5.2616 -0.5257 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0144 -8.3906 -0.2868 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0962 -7.8763 0.7563 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0537 -5.5460 1.7284 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2898 -4.8930 0.2910 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2114 -5.7890 -1.2036 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2917 -5.3734 -0.2279 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7527 -5.4724 2.4829 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4214 -5.8503 2.1508 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2591 -3.7251 3.4207 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7361 -1.8723 2.2735 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2539 -2.0160 -0.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0822 -3.2591 -0.4984 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4724 -1.3829 0.6658 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7949 -0.3263 -0.0478 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8103 -1.4032 -1.0751 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5316 2.6030 4.0165 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8690 1.7665 5.5836 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6366 4.2314 3.4650 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8675 5.2656 3.9858 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7220 4.9408 2.6126 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8290 5.8541 1.8618 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5973 3.9161 2.1022 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3056 2.9231 1.1176 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5378 4.4639 0.5182 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4686 3.3191 -0.6115 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 2 0 13 14 1 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 2 0 28 30 1 0 30 31 1 0 31 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 2 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 25 47 1 0 47 48 1 0 48 49 1 0 49 50 2 0 49 51 1 0 49 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 54 56 1 0 56 57 1 0 1 58 1 0 1 59 1 0 1 60 1 0 2 61 1 0 2 62 1 0 3 63 1 0 4 64 1 0 5 65 1 0 5 66 1 0 6 67 1 0 7 68 1 0 8 69 1 0 8 70 1 0 9 71 1 0 10 72 1 0 11 73 1 0 11 74 1 0 12 75 1 0 13 76 1 0 14 77 1 0 14 78 1 0 15 79 1 0 16 80 1 0 17 81 1 0 17 82 1 0 18 83 1 0 18 84 1 0 19 85 1 0 19 86 1 0 20 87 1 0 20 88 1 0 21 89 1 0 21 90 1 0 25 91 1 6 26 92 1 0 26 93 1 0 30 94 1 0 30 95 1 0 31 96 1 0 31 97 1 0 32 98 1 0 32 99 1 0 33100 1 0 33101 1 0 34102 1 0 34103 1 0 35104 1 0 35105 1 0 36106 1 0 36107 1 0 37108 1 0 38109 1 0 39110 1 0 39111 1 0 40112 1 0 41113 1 0 42114 1 0 42115 1 0 43116 1 0 44117 1 0 45118 1 0 45119 1 0 46120 1 0 46121 1 0 46122 1 0 47123 1 0 47124 1 0 51125 1 0 53126 1 0 53127 1 0 54128 1 6 55129 1 0 56130 1 0 56131 1 0 57132 1 0 M END