HMDB0056302 RDKit 3D DG(18:3n6/0:0/22:5n6) 116115 0 0 0 0 0 0 0 0999 V2000 -17.2172 0.3958 -1.4928 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.7234 0.3366 -1.0425 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.0234 -0.4046 -2.1271 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5764 -0.5756 -2.0978 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8638 -1.2615 -0.9949 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9044 -0.6574 0.3265 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7969 -0.2558 0.9102 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4200 -0.3440 0.3651 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6537 -1.1431 1.3145 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6443 -0.7797 2.0083 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0048 0.5288 2.0338 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4707 1.6545 1.2690 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7598 2.2691 0.3485 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3776 1.8754 -0.0136 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5397 3.0956 0.2556 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5468 3.2008 1.0801 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0669 2.0889 1.9138 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6693 1.7124 1.7421 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2715 0.5430 1.3444 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1532 -0.5777 0.9991 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8211 -0.9677 -0.4417 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4163 -1.4711 -0.4807 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8658 -1.7288 0.6277 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7411 -1.6489 -1.6705 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6037 -2.1185 -1.6646 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4885 -1.1005 -1.0072 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5411 0.0874 -1.6896 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8574 -1.6238 -0.6367 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5460 -0.7783 0.2233 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0017 0.4815 -0.0062 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8282 0.9989 -1.1346 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7096 1.3396 0.9894 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8238 0.7618 2.3382 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5166 -0.5250 2.5184 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9505 -0.6630 2.1776 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3745 -0.5106 0.7965 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9750 -1.5012 0.1108 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2566 -2.7899 0.6487 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5754 -3.3388 0.8561 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7295 -2.8010 0.6799 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9879 -1.4353 0.2077 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7791 -0.6695 1.2484 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9547 -0.2203 0.9268 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6517 -0.3597 -0.3524 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9085 1.0311 -0.9342 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6315 0.9248 -2.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8797 2.2918 -2.8364 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5865 3.0242 -3.0791 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.2905 0.9262 -2.4449 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.7727 0.9571 -0.6843 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.5993 -0.6395 -1.5175 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.3788 1.3483 -0.8530 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.7873 -0.2259 -0.0653 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.5871 -1.3807 -2.2394 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.3444 0.1281 -3.0961 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2888 -1.0719 -3.0968 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1259 0.4787 -2.2449 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4297 -2.2805 -0.8686 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8935 -1.5910 -1.3818 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8714 -0.5596 0.8496 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9246 0.1942 1.9165 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0152 0.5811 -0.0189 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4222 -1.0023 -0.5807 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0120 -2.1983 1.4335 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1621 -1.5676 2.7101 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8709 0.4001 1.9630 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1101 0.8796 3.1487 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4834 2.1094 1.4568 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2119 3.1428 -0.2030 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9995 0.9576 0.3739 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3262 1.7318 -1.1613 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8499 3.9669 -0.3432 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0440 4.1824 1.1496 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7645 1.2404 1.8615 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2055 2.4580 3.0028 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9150 2.4841 1.9686 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1860 0.3794 1.2572 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8267 -1.4773 1.6035 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2100 -0.4570 1.1609 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9305 -0.0750 -1.0877 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5084 -1.7508 -0.7614 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6323 -3.0521 -1.0256 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9188 -2.3434 -2.6942 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9735 -0.8131 -0.0192 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7953 0.1135 -2.3368 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7062 -2.6016 -0.1005 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4376 -1.8878 -1.5376 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9890 2.2654 1.0704 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6203 1.7280 0.5712 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2876 1.5580 3.0256 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7675 0.6883 2.7788 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3706 -0.7878 3.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9373 -1.3384 1.9608 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4130 -1.5427 2.6973 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4659 0.1991 2.7776 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2669 0.4000 0.2230 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2054 -1.2836 -0.9363 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7559 -3.5333 -0.1261 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5934 -3.0620 1.5424 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6325 -4.4277 1.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6632 -3.4212 0.9059 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5397 -1.4791 -0.7585 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1098 -0.8155 -0.0082 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3420 -0.5205 2.2250 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4853 0.3354 1.7259 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3260 -1.0948 -1.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7188 -0.6941 -0.0577 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9765 1.6242 -1.0254 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5506 1.5483 -0.1919 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5737 0.3723 -2.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9543 0.3876 -2.9822 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4987 2.2250 -3.7561 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4616 2.8990 -2.0943 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2546 3.5881 -2.1998 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7746 2.3350 -3.4212 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7199 3.7721 -3.9095 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 2 0 16 17 1 0 17 18 1 0 18 19 2 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 2 0 37 38 1 0 38 39 1 0 39 40 2 0 40 41 1 0 41 42 1 0 42 43 2 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 14 71 1 0 15 72 1 0 16 73 1 0 17 74 1 0 17 75 1 0 18 76 1 0 19 77 1 0 20 78 1 0 20 79 1 0 21 80 1 0 21 81 1 0 25 82 1 0 25 83 1 0 26 84 1 1 27 85 1 0 28 86 1 0 28 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 37 97 1 0 38 98 1 0 38 99 1 0 39100 1 0 40101 1 0 41102 1 0 41103 1 0 42104 1 0 43105 1 0 44106 1 0 44107 1 0 45108 1 0 45109 1 0 46110 1 0 46111 1 0 47112 1 0 47113 1 0 48114 1 0 48115 1 0 48116 1 0 M END