HMDB0296069 RDKit 3D DG(19:0/0:0/20:4(5Z,7E,11Z,14Z)-OH(9)) 122121 0 0 0 0 0 0 0 0999 V2000 -15.9181 2.1301 0.0826 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.6814 2.8918 0.3894 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3944 2.2060 0.2885 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0834 1.0473 1.1425 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.9158 -0.1793 1.0248 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8877 -0.7783 -0.3161 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4194 -1.9876 -0.5480 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8566 -2.9811 0.3302 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4750 -3.4328 0.1229 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5403 -3.0271 -0.6644 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6218 -1.9309 -1.5968 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4630 -0.9053 -1.4086 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2486 -1.6061 -1.7570 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.2963 -0.7154 0.0797 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3067 0.0808 0.4630 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4623 0.7366 -0.4756 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4648 1.4547 -0.4314 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3127 2.2843 -0.3866 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0888 1.5814 -0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8636 0.9292 1.3070 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4491 0.3262 1.1138 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4936 1.1233 1.0663 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2573 -1.0187 0.9857 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9592 -1.5851 0.7247 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6504 -1.0692 -0.6897 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.7746 -1.5793 -1.4345 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5551 -1.6970 -1.2765 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7832 -1.3531 -0.7352 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3861 -0.1531 -0.6203 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7251 0.8474 -1.0844 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7056 0.1760 -0.0443 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1072 -0.9231 0.9122 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1637 -2.2862 0.4135 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0308 -2.7772 -0.6514 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4852 -2.8507 -0.5367 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3542 -1.6710 -0.3494 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2414 -0.6542 -1.4062 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2051 0.4881 -1.2580 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3062 1.1657 0.0734 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2020 0.5924 1.1039 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6931 0.8101 0.8815 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3366 0.3787 -0.3286 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8631 0.7168 -0.3090 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0271 2.1903 -0.2073 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3452 2.8005 -0.3989 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5245 2.4775 0.4098 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0904 1.1067 0.2855 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3497 0.9999 1.1795 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.8214 1.3335 -0.6540 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.6909 2.8403 -0.4023 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.3950 1.8464 1.0158 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6430 3.7495 -0.3763 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8067 3.4747 1.3532 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5874 2.9989 0.5272 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2035 2.0152 -0.8022 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2319 1.4049 2.2209 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0081 0.7353 1.1141 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5244 -0.9058 1.7656 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.9929 -0.0066 1.2879 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2440 -0.2506 -1.2129 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5051 -2.3454 -1.6256 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5146 -3.9178 0.2137 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0038 -2.7577 1.4204 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1704 -4.3134 0.7822 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5586 -3.5726 -0.6206 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4157 -2.2802 -2.6711 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5028 -1.3392 -1.5357 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6636 -0.0522 -1.9876 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1140 -2.3763 -1.1858 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9369 -1.2096 0.7420 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1556 0.2136 1.5163 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8882 0.6567 -1.5302 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1043 0.9837 -1.6971 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1162 2.8148 -1.3664 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4979 3.1770 0.3368 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1646 2.1736 -0.2535 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9515 0.7054 -0.7798 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7332 1.6844 2.0907 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5450 0.1404 1.5912 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0744 -2.6586 0.6926 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2136 -1.3019 1.4685 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7314 0.0222 -0.7689 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1500 -0.8547 -1.9606 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3777 -2.8045 -1.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6210 -1.4210 -2.3815 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4961 1.0945 0.6265 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4293 0.5207 -0.7571 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2481 -0.9003 1.6787 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9728 -0.6144 1.5401 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5143 -2.9052 1.3641 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1183 -2.7563 0.3479 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7185 -3.8562 -0.9647 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8128 -2.2294 -1.6422 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8743 -3.4238 -1.4657 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6994 -3.5797 0.3303 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0374 -1.2099 0.6299 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4061 -2.0163 -0.2907 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5799 -1.1834 -2.3720 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2604 -0.2819 -1.6398 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9612 1.2533 -2.0546 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2139 -0.0115 -1.5221 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2611 1.1346 0.5304 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4428 2.2780 -0.0505 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9898 -0.4198 1.3684 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9851 1.1985 2.0519 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1571 0.2216 1.7457 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9315 1.8759 1.2051 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2907 -0.6829 -0.5905 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0251 0.9202 -1.2702 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3462 0.3128 -1.1704 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2473 0.2847 0.6604 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5770 2.5736 0.7739 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3459 2.6416 -1.0128 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6206 2.8408 -1.5265 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1732 3.9336 -0.2097 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3829 3.1941 0.1595 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3192 2.7530 1.4947 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4752 0.2816 0.5800 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4723 0.9717 -0.7781 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2480 1.3494 0.6501 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1349 1.5253 2.0963 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4975 -0.0709 1.4400 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 1 0 12 14 1 0 14 15 2 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 25 27 1 0 27 28 1 0 28 29 1 0 29 30 2 0 29 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 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 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 1 49 1 0 1 50 1 0 1 51 1 0 2 52 1 0 2 53 1 0 3 54 1 0 3 55 1 0 4 56 1 0 4 57 1 0 5 58 1 0 5 59 1 0 6 60 1 0 7 61 1 0 8 62 1 0 8 63 1 0 9 64 1 0 10 65 1 0 11 66 1 0 11 67 1 0 12 68 1 0 13 69 1 0 14 70 1 0 15 71 1 0 16 72 1 0 17 73 1 0 18 74 1 0 18 75 1 0 19 76 1 0 19 77 1 0 20 78 1 0 20 79 1 0 24 80 1 0 24 81 1 0 25 82 1 1 26 83 1 0 27 84 1 0 27 85 1 0 31 86 1 0 31 87 1 0 32 88 1 0 32 89 1 0 33 90 1 0 33 91 1 0 34 92 1 0 34 93 1 0 35 94 1 0 35 95 1 0 36 96 1 0 36 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 40105 1 0 41106 1 0 41107 1 0 42108 1 0 42109 1 0 43110 1 0 43111 1 0 44112 1 0 44113 1 0 45114 1 0 45115 1 0 46116 1 0 46117 1 0 47118 1 0 47119 1 0 48120 1 0 48121 1 0 48122 1 0 M END