HMDB0266794 RDKit 3D PA(20:3(5Z,8Z,14Z)-O(11S,12R)/a-13:0) 109109 0 0 0 0 0 0 0 0999 V2000 14.5487 4.0276 -1.6278 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0406 3.1148 -0.5450 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5001 1.8257 -1.1075 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9937 0.9289 0.0165 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4477 -0.3779 -0.5842 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9774 -1.1871 0.5235 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7598 -1.6072 0.6889 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6975 -1.2829 -0.2824 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5562 -0.4950 0.3301 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8430 0.7411 0.9030 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6544 -0.2907 1.8215 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3186 -0.3593 2.5440 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7390 -1.6890 2.3061 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6114 -1.9953 1.7309 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7116 -0.9406 1.2054 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5217 -1.1753 -0.2413 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3550 -1.3887 -0.7616 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1090 -1.4273 -0.0275 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3909 -2.7759 -0.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0808 -3.0610 -1.6166 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2171 -1.9473 -2.1026 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4403 -1.4893 -3.2494 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8069 -1.3976 -1.3619 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5517 -0.3384 -1.9323 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6039 0.0822 -0.9413 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.8909 0.5263 0.3225 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0754 1.5972 -0.0132 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2203 2.1778 1.3256 P 0 0 0 0 0 5 0 0 0 0 0 0 1.1958 1.6583 1.3172 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1643 3.8554 1.2311 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0010 1.6571 2.7332 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4618 -1.0146 -0.6880 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8358 -0.8567 -0.9099 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2217 0.2591 -1.3225 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8069 -1.9320 -0.6786 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6693 -1.6597 0.5109 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4820 -0.4050 0.4238 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4419 -0.3911 -0.7419 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2331 0.8909 -0.7966 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0525 1.1303 0.4282 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0718 0.0548 0.7026 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0548 -0.1000 -0.4179 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7882 1.1866 -0.6527 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.7797 0.9874 -1.7965 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5014 1.6056 0.5971 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.5089 0.5896 1.0803 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5148 3.6306 -2.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8534 3.9968 -2.5005 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6521 5.0526 -1.2357 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8281 2.9117 0.2074 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2079 3.6044 0.0356 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6873 1.9996 -1.8190 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3239 1.2997 -1.6287 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1675 1.4088 0.5641 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7933 0.6567 0.7083 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3118 -0.9383 -1.0601 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7672 -0.1042 -1.3724 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7150 -1.4670 1.2852 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4501 -2.2257 1.5545 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2175 -2.2937 -0.5161 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0073 -0.9132 -1.2496 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5997 -0.5527 -0.1794 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5490 -0.5908 2.3593 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7065 0.5107 2.3837 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5951 -0.3711 3.6609 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3464 -2.5424 2.6663 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2819 -3.0443 1.6121 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7884 -0.8654 1.7987 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2303 0.0558 1.3612 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4160 -1.1631 -0.8669 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3166 -1.5544 -1.8568 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4271 -0.6214 -0.4612 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1226 -1.2161 1.0404 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4269 -2.6705 0.3689 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9932 -3.5756 0.2675 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9956 -3.1431 -2.2067 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5001 -3.9859 -1.6527 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0148 -0.7020 -2.8911 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9105 0.5403 -2.1622 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1860 0.9384 -1.2948 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2332 -0.2782 0.7240 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5913 0.8326 1.1006 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8326 4.1798 0.6049 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6421 2.3453 3.0394 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4581 -2.1048 -1.5672 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2189 -2.8551 -0.4506 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3930 -2.5036 0.6645 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0444 -1.6075 1.4192 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7985 0.4641 0.3796 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0282 -0.3098 1.3956 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8426 -0.4552 -1.6719 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1031 -1.2806 -0.7345 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5105 1.7467 -0.8754 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8909 0.8586 -1.6795 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5609 2.1078 0.3302 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4001 1.2595 1.3465 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5824 0.2523 1.6635 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5329 -0.9431 0.7712 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7486 -0.9376 -0.1776 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4608 -0.3818 -1.3246 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1173 2.0183 -0.9381 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6973 1.8134 -2.5189 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5698 0.0277 -2.3014 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8333 1.0153 -1.4024 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0413 2.5656 0.3478 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7721 1.8147 1.3838 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7434 -0.1473 0.2990 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0847 0.0184 1.9526 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.4352 1.1074 1.3972 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 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 23 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 28 31 1 0 25 32 1 0 32 33 1 0 33 34 2 0 33 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 43 45 1 0 45 46 1 0 11 9 1 0 1 47 1 0 1 48 1 0 1 49 1 0 2 50 1 0 2 51 1 0 3 52 1 0 3 53 1 0 4 54 1 0 4 55 1 0 5 56 1 0 5 57 1 0 6 58 1 0 7 59 1 0 8 60 1 0 8 61 1 0 9 62 1 0 11 63 1 0 12 64 1 0 12 65 1 0 13 66 1 0 14 67 1 0 15 68 1 0 15 69 1 0 16 70 1 0 17 71 1 0 18 72 1 0 18 73 1 0 19 74 1 0 19 75 1 0 20 76 1 0 20 77 1 0 24 78 1 0 24 79 1 0 25 80 1 6 26 81 1 0 26 82 1 0 30 83 1 0 31 84 1 0 35 85 1 0 35 86 1 0 36 87 1 0 36 88 1 0 37 89 1 0 37 90 1 0 38 91 1 0 38 92 1 0 39 93 1 0 39 94 1 0 40 95 1 0 40 96 1 0 41 97 1 0 41 98 1 0 42 99 1 0 42100 1 0 43101 1 0 44102 1 0 44103 1 0 44104 1 0 45105 1 0 45106 1 0 46107 1 0 46108 1 0 46109 1 0 M END