HMDB0296109 RDKit 3D DG(19:0/0:0/20:3(8Z,11Z,14Z)-2OH(5,6)) 125124 0 0 0 0 0 0 0 0999 V2000 -13.7090 2.4211 2.2501 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.5834 2.3496 1.0452 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.0712 3.0952 -0.1460 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7485 2.6449 -0.6633 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7616 1.1878 -1.0938 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4740 0.7377 -1.6485 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7454 -0.2109 -1.1473 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1971 -0.9433 0.1070 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4265 -2.3482 -0.2006 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8614 -3.3678 0.2986 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8423 -3.4957 1.3015 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2461 -2.4142 2.0238 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9924 -2.0339 1.9939 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9652 -2.6785 1.1829 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3500 -1.7013 0.1743 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7491 -0.6572 0.8124 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6311 -2.3672 -0.9303 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3509 -1.4502 -1.9791 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3974 -3.0902 -0.5375 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3924 -2.1664 0.0808 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1468 -2.9865 0.3913 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1156 -2.0748 1.0043 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0445 -2.5252 1.2119 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4569 -0.7882 1.3204 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6051 0.1546 1.8738 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4871 0.5495 0.9160 C 0 0 2 0 0 0 0 0 0 0 0 0 1.2927 -0.4732 0.5285 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1873 1.7376 1.5127 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0522 2.3386 0.6340 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1783 1.7759 0.1108 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5543 0.6175 0.3902 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9709 2.6233 -0.8391 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6077 2.3335 -2.2660 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8608 0.9820 -2.7679 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2234 0.4200 -2.8540 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2091 1.0754 -3.7481 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7234 2.4022 -3.5032 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5834 2.7917 -2.3836 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9905 2.3391 -2.3073 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2818 0.9011 -2.1875 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7495 0.2586 -0.9437 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3171 0.8469 0.3367 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8024 0.7517 0.4048 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3392 -0.6711 0.3063 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8084 -0.7007 0.3824 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5581 -0.1872 1.5121 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6328 -0.6959 2.8604 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5290 -0.8809 3.7963 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5570 -1.9326 3.4093 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7656 2.9745 2.0828 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2149 2.8587 3.1309 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4343 1.3811 2.5425 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8784 1.3020 0.8012 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.5648 2.8428 1.3130 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8701 3.0765 -0.9235 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9801 4.1725 0.1549 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0041 2.7670 0.1439 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4898 3.2466 -1.5527 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2704 0.5258 -0.4000 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4738 1.1756 -2.0102 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0657 1.2267 -2.5724 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7937 -0.5009 -1.6169 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2702 -0.8599 0.7515 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0273 -0.4275 0.5821 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2087 -2.5291 -0.9838 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2091 -4.3822 -0.1152 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0013 -4.1786 0.9103 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3056 -4.2563 2.0737 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8917 -1.8377 2.7242 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6725 -1.1806 2.6115 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1358 -3.0063 1.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3112 -3.5257 0.5866 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2786 -1.2228 -0.3327 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4274 0.0216 1.1227 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3417 -3.0903 -1.4149 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5193 -1.7315 -2.4345 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9658 -3.5995 -1.4291 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6472 -3.8625 0.2502 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1810 -1.3072 -0.5745 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8061 -1.7986 1.0519 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4392 -3.7903 1.0654 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7414 -3.3087 -0.5798 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1043 -0.2288 2.8002 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1609 1.1012 2.1030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0209 0.9413 -0.0183 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2725 -0.6562 -0.4553 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3934 2.4415 1.8594 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8008 1.3927 2.4035 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0089 2.4808 -0.5650 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7277 3.6868 -0.6563 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8541 3.1437 -2.9714 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4419 2.4164 -2.2479 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2394 0.2292 -2.1973 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3933 0.9277 -3.8025 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6063 0.1987 -1.8309 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0880 -0.6331 -3.2863 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6969 1.1465 -4.8028 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0403 0.3544 -4.0108 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4083 2.6145 -4.4506 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9761 3.2378 -3.6828 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1350 2.5289 -1.3735 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6276 3.9327 -2.3169 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5711 2.7581 -3.2212 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5224 2.8789 -1.4311 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4320 0.7638 -2.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9840 0.2950 -3.0573 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8429 -0.8442 -0.9627 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6677 0.4922 -0.9033 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8926 0.2331 1.1697 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0018 1.8777 0.4999 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1086 1.1151 1.4192 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3100 1.4459 -0.3056 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0923 -1.0403 -0.7792 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7432 -1.3312 0.9011 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1917 -0.2297 -0.6063 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1575 -1.7798 0.2183 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6695 -0.1318 1.1406 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3550 0.9630 1.6340 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3954 -0.0221 3.4121 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2600 -1.6916 2.8894 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0098 0.0868 4.0782 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9511 -1.1997 4.8116 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5386 -1.5428 3.2004 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8867 -2.5050 2.5190 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4571 -2.7230 4.2109 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 15 17 1 0 17 18 1 0 17 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 26 28 1 0 28 29 1 0 29 30 1 0 30 31 2 0 30 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 48 49 1 0 1 50 1 0 1 51 1 0 1 52 1 0 2 53 1 0 2 54 1 0 3 55 1 0 3 56 1 0 4 57 1 0 4 58 1 0 5 59 1 0 5 60 1 0 6 61 1 0 7 62 1 0 8 63 1 0 8 64 1 0 9 65 1 0 10 66 1 0 11 67 1 0 11 68 1 0 12 69 1 0 13 70 1 0 14 71 1 0 14 72 1 0 15 73 1 0 16 74 1 0 17 75 1 0 18 76 1 0 19 77 1 0 19 78 1 0 20 79 1 0 20 80 1 0 21 81 1 0 21 82 1 0 25 83 1 0 25 84 1 0 26 85 1 6 27 86 1 0 28 87 1 0 28 88 1 0 32 89 1 0 32 90 1 0 33 91 1 0 33 92 1 0 34 93 1 0 34 94 1 0 35 95 1 0 35 96 1 0 36 97 1 0 36 98 1 0 37 99 1 0 37100 1 0 38101 1 0 38102 1 0 39103 1 0 39104 1 0 40105 1 0 40106 1 0 41107 1 0 41108 1 0 42109 1 0 42110 1 0 43111 1 0 43112 1 0 44113 1 0 44114 1 0 45115 1 0 45116 1 0 46117 1 0 46118 1 0 47119 1 0 47120 1 0 48121 1 0 48122 1 0 49123 1 0 49124 1 0 49125 1 0 M END