HMDB0007460 RDKit 3D DG(20:3(5Z,8Z,11Z)/20:4(5Z,8Z,11Z,14Z)/0:0) 118117 0 0 0 0 0 0 0 0999 V2000 16.1393 3.3096 -0.1906 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5154 2.1304 -1.0783 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4027 1.1027 -1.0773 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7870 -0.0587 -1.9772 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6585 -1.0859 -1.9696 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4208 -0.4459 -2.4454 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3248 -0.3373 -1.7321 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2158 -0.8532 -0.3566 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1205 -1.8345 -0.3102 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0751 -1.7234 0.4643 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9114 -0.5523 1.3877 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8929 -1.0420 2.7735 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9098 -0.8122 3.5781 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7122 -0.0614 3.2665 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5431 -0.9432 3.4590 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6743 -1.1982 2.5444 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6788 -0.6753 1.1874 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7084 -1.7781 0.1407 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5657 -2.7237 0.2877 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2702 -2.0188 0.1474 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2483 -0.8657 -0.3659 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0831 -2.5437 0.5500 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7913 -1.9358 0.4785 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.2537 -2.7861 -0.1447 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4781 -3.9783 0.5358 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5054 -1.6416 1.9673 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6779 -1.1132 2.3048 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3063 0.0366 1.8831 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7512 0.7294 1.0318 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6151 0.3121 2.5346 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7069 -0.5672 2.0518 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0304 -0.3541 0.6105 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5048 1.0279 0.4567 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7291 1.3097 0.0971 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7315 0.2574 -0.1815 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2591 0.4429 -1.5423 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5466 0.5771 -1.7657 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5338 0.5428 -0.6818 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2841 1.8240 -0.6345 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5883 1.9125 -0.7351 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4718 0.7667 -0.9054 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.2908 0.8427 -2.1996 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.1619 2.0202 -2.2437 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.1760 2.3380 -1.2610 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.3593 1.6046 -0.8953 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.3386 0.3166 -0.2315 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.7433 -0.9035 -0.7799 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.2895 -1.3308 -2.1273 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7310 4.1605 -0.8024 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3628 3.0096 0.5635 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0044 3.6985 0.3826 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4653 1.6611 -0.7329 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6733 2.4643 -2.1297 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4803 1.5976 -1.4114 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1993 0.7530 -0.0446 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9782 0.2858 -3.0067 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7236 -0.4880 -1.5857 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6382 -1.6860 -1.0871 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9329 -1.8201 -2.8100 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3676 -0.0195 -3.4590 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4443 0.1501 -2.1477 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1661 -0.0002 0.3103 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1434 -1.4223 -0.0693 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2196 -2.6932 -0.9749 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3246 -2.5134 0.4169 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9176 -0.1246 1.0814 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6230 0.2460 1.2188 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7924 -1.6331 3.0976 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9918 -1.2266 4.6071 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6146 0.7086 4.1302 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6993 0.5701 2.3888 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4611 -1.3826 4.4655 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8151 -1.8896 2.7869 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7757 -0.0577 1.0296 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5272 -0.0063 0.9279 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6412 -1.2476 -0.8379 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6510 -2.3212 0.1433 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6264 -3.5010 -0.5188 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6094 -3.3073 1.2406 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8136 -0.9456 -0.0231 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1880 -2.2182 -0.1586 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0435 -2.9600 -1.2028 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1598 -3.7958 1.2333 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6161 -2.6741 2.4358 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4093 -1.0381 2.2799 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8038 1.3983 2.3420 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4677 0.1595 3.6513 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3319 -1.6323 2.1715 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6253 -0.4477 2.6932 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5923 -1.1452 0.1412 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0065 -0.4086 0.0822 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7874 1.8531 0.6491 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0694 2.3423 -0.0173 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4904 0.3998 0.6327 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3610 -0.7818 -0.1025 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5499 0.4635 -2.3646 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9359 0.7297 -2.7949 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2281 0.2336 0.3053 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2431 -0.3017 -1.0043 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6909 2.7326 -0.5084 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9872 2.9499 -0.6814 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2948 0.9177 -0.1081 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1009 -0.2244 -0.6757 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7071 -0.1143 -2.4966 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5151 1.0274 -3.0579 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6440 2.0204 -3.2796 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4696 2.9353 -2.3115 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.5206 3.4322 -1.5564 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6162 2.6716 -0.2692 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.1447 1.6176 -1.7542 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.9658 2.2964 -0.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.4153 0.0181 0.1091 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.8730 0.4172 0.8323 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6775 -1.0494 -0.6701 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.1613 -1.7607 -0.0892 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.3277 -1.6595 -2.0116 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.1487 -0.5743 -2.9113 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.7088 -2.2371 -2.4329 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 1 0 19 20 1 0 20 21 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 23 26 1 0 26 27 1 0 27 28 1 0 28 29 2 0 28 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 2 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 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 14 71 1 0 15 72 1 0 16 73 1 0 17 74 1 0 17 75 1 0 18 76 1 0 18 77 1 0 19 78 1 0 19 79 1 0 23 80 1 6 24 81 1 0 24 82 1 0 25 83 1 0 26 84 1 0 26 85 1 0 30 86 1 0 30 87 1 0 31 88 1 0 31 89 1 0 32 90 1 0 32 91 1 0 33 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 42105 1 0 43106 1 0 43107 1 0 44108 1 0 44109 1 0 45110 1 0 45111 1 0 46112 1 0 46113 1 0 47114 1 0 47115 1 0 48116 1 0 48117 1 0 48118 1 0 M END