HMDB0296027 RDKit 3D DG(19:0/20:3(8Z,11Z,14Z)-O(5,6)/0:0) 122122 0 0 0 0 0 0 0 0999 V2000 11.1846 1.8313 -2.3907 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6836 1.4912 -0.9774 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1759 1.6563 -0.9879 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8634 1.3850 0.2905 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6765 -0.0748 0.7069 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2617 -0.9900 -0.2812 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6818 -1.9557 -0.9124 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2657 -2.3934 -0.7849 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1391 -3.8144 -0.4683 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5875 -4.3718 0.5390 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9233 -3.8091 1.6844 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8789 -2.3865 1.9162 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7970 -1.6487 1.9413 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4098 -2.1037 1.7422 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7962 -1.4252 0.5211 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7667 -0.0215 0.5500 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5121 -0.7550 0.6658 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8245 -0.4655 1.9615 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5524 0.2758 1.7423 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5093 -0.4363 0.9200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3495 0.4698 0.7239 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3496 1.6271 1.2827 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2258 0.1997 -0.0277 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1797 1.1291 -0.1833 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1787 1.6132 -1.6415 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0153 0.5743 -2.5334 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1837 0.6434 0.2053 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1342 1.7054 -0.0073 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1337 2.8844 0.6829 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2271 2.9916 1.5882 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0475 4.0110 0.4893 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4236 3.8447 0.9875 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1498 2.6666 0.3154 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1597 2.8961 -1.1337 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8739 2.0239 -2.0592 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6412 0.5902 -2.1683 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9591 -0.2958 -1.0189 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4139 -0.2122 -0.6118 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6346 -1.1520 0.5426 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0737 -1.1168 1.0273 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9597 -1.5018 -0.1202 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4418 -1.4869 0.3495 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2133 -1.8737 -0.8645 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6544 -2.0509 -0.8395 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.5990 -0.9920 -0.4812 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.5379 -0.4959 0.9127 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.6202 0.5912 1.1346 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.5514 1.0896 2.5586 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5000 1.0240 -3.0985 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0779 1.8133 -2.3705 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6077 2.8014 -2.6880 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1975 2.2310 -0.3025 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3618 0.4774 -0.7509 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5503 1.0014 -1.8321 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4208 2.7138 -1.3066 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9636 1.5787 0.2190 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4951 2.0702 1.0692 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5639 -0.2383 0.8001 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0927 -0.1801 1.7215 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3314 -0.8221 -0.5046 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3099 -2.5419 -1.6428 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7244 -1.6979 -0.1729 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8048 -2.3036 -1.8449 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6141 -4.4771 -1.2598 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6353 -5.5230 0.5171 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8786 -4.2718 1.7650 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4064 -4.3048 2.6181 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8583 -1.8774 2.1365 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9690 -0.5662 2.1339 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7985 -1.7414 2.6226 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2522 -3.1871 1.7304 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0400 -1.8979 -0.4412 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8947 -0.4868 -0.2286 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5846 -1.3904 2.5365 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4877 0.1250 2.6179 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7873 1.2572 1.2643 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0843 0.5408 2.7187 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8977 -0.7819 -0.0309 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1300 -1.2929 1.5178 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4498 2.0212 0.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5997 2.4045 -1.7505 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1575 2.0998 -1.8210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2747 -0.2654 -2.1064 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1954 0.3155 1.2578 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5235 -0.1906 -0.4388 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0603 4.3913 -0.5654 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6191 4.9169 1.0444 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4337 3.6388 2.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0461 4.7494 0.7987 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1451 2.6493 0.8025 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5359 1.7934 0.6445 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0645 3.0104 -1.4491 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5325 3.9609 -1.2949 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6601 2.4457 -3.1083 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0122 2.2050 -2.0332 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2816 0.2170 -3.0286 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5998 0.3948 -2.5667 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2786 -0.1776 -0.1879 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8327 -1.3787 -1.3431 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7328 0.7810 -0.3038 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0706 -0.5094 -1.4812 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0429 -0.7117 1.3983 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2469 -2.1596 0.4108 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2095 -1.8835 1.8239 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3341 -0.1434 1.4717 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9539 -0.7824 -0.9638 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7488 -2.4971 -0.5204 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5778 -0.4120 0.6116 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5122 -2.1803 1.1768 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9423 -1.1373 -1.6901 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7569 -2.8711 -1.1969 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9384 -2.4712 -1.8714 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9186 -2.9764 -0.1924 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5781 -0.1271 -1.2255 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.6624 -1.3914 -0.6401 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8083 -1.2957 1.6558 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6090 -0.0417 1.2515 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.6195 0.1683 0.9590 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.4609 1.4238 0.4410 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.5629 0.2071 3.2613 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6165 1.6847 2.6586 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.4537 1.7115 2.7287 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 16 17 1 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 24 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 17 15 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 14 71 1 0 15 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 1 25 81 1 0 25 82 1 0 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