HMDB0053481 RDKit 3D TG(20:2n6/18:3(6Z,9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z)) 165164 0 0 0 0 0 0 0 0999 V2000 -0.3961 4.0804 -0.9638 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8215 3.6361 -1.3106 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7765 4.5013 -0.6272 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6912 5.2749 -1.1013 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0552 5.5331 -2.4751 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2890 4.9429 -3.5355 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7649 4.0690 -4.3978 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1692 3.5464 -4.4147 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7155 3.9097 -5.7179 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1556 3.0846 -6.5840 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2450 1.6587 -6.5399 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9174 0.8190 -5.4444 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9735 -0.0667 -5.4215 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0873 -0.3239 -6.5794 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1822 -1.7546 -7.0051 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1233 -2.5184 -7.0214 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7991 -2.0853 -6.6526 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2673 -2.8616 -5.4391 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0950 -2.3338 -5.0873 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7646 -2.9441 -3.9473 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8628 -3.5502 -4.0893 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2796 -2.9162 -2.6316 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9988 -3.4903 -1.5743 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2992 -3.4089 -0.2375 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3112 -3.7633 0.8404 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3125 -2.7974 0.6970 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4818 -2.6369 1.4064 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7324 -3.4496 2.2967 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3656 -1.4778 1.0467 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5762 -1.3904 1.9182 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4038 -0.1685 1.4881 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5358 1.0776 1.6653 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2709 2.3330 1.2790 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3125 3.5097 1.5491 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0766 3.2811 0.7384 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0998 4.4176 0.9046 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7234 4.5343 2.3677 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7106 5.5774 2.5958 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8534 6.6062 3.3321 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0602 6.9670 4.1023 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5097 8.2944 3.6614 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6746 8.5909 3.1411 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7205 7.6160 2.9203 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1764 7.3515 1.5400 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7352 8.4211 0.7031 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8838 9.5390 0.2493 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7441 10.4788 -0.6309 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8406 -4.1945 -0.2180 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1167 -3.6403 -0.0381 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1433 -2.3804 0.1008 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3749 -4.3566 0.0022 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2937 -5.8392 0.1246 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6195 -6.2973 1.3779 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5717 -7.8251 1.4540 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9633 -8.3303 1.4263 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5401 -9.0426 2.3509 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8759 -9.4714 3.6056 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6411 -8.9013 4.7317 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1804 -8.1183 5.6675 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7484 -7.7041 5.6840 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1619 -8.2311 6.9494 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6345 -7.5122 7.8905 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5096 -6.0536 7.8972 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0195 -5.7259 8.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2290 -4.2524 8.0362 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2596 -3.5066 6.8359 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4071 -3.9881 5.5617 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3559 4.1608 0.1471 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3241 3.2750 -1.2346 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1430 5.0229 -1.4636 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8620 2.5859 -0.8028 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8726 3.4924 -2.3715 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7045 4.4994 0.5008 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3127 5.8450 -0.3493 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9865 6.7061 -2.6338 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1522 5.4094 -2.6313 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2155 5.2752 -3.6627 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0460 3.7111 -5.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7426 4.0802 -3.6361 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1746 2.4976 -4.1202 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7282 4.9977 -5.9354 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5444 3.5513 -7.5559 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3906 1.4451 -6.7554 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8580 1.2221 -7.5363 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5301 0.8421 -4.4920 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7582 -0.6986 -4.5301 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2577 0.2600 -7.4742 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0597 -0.1664 -6.1614 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1772 -2.1422 -7.3019 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3074 -3.5639 -7.3523 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1066 -2.5021 -7.4950 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5348 -1.0399 -6.6590 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1555 -3.9104 -5.7699 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9651 -2.8398 -4.5990 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7808 -2.4198 -5.9692 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0512 -1.2416 -4.8341 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2625 -4.5529 -1.7589 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9527 -2.9142 -1.4774 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0776 -2.3197 -0.0733 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7026 -4.7925 0.7261 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8546 -3.6752 1.8298 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7052 -0.5623 1.1224 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6591 -1.5873 -0.0007 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2371 -2.2618 1.7832 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3109 -1.2376 2.9934 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6925 -0.2641 0.4272 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2763 -0.1308 2.1615 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7334 0.9614 0.8627 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1218 1.0999 2.6664 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1784 2.5052 1.8534 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4400 2.3629 0.1745 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0962 3.4054 2.6515 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7625 4.4717 1.3168 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2957 3.0793 -0.3220 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5123 2.3847 1.1581 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5327 5.3570 0.5233 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1658 4.1670 0.3422 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6499 4.6900 2.9203 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2327 3.5656 2.6970 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7454 5.4192 2.0609 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0096 7.3153 3.4223 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8066 6.1812 4.1369 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7055 7.0914 5.1841 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7955 9.1353 3.7762 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8683 9.6738 2.9054 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5561 6.6508 3.4801 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6611 8.0270 3.4666 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9669 6.5091 1.6368 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3641 6.7926 0.9658 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6787 8.8593 1.1628 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1642 7.9546 -0.2514 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4210 10.1839 0.9671 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0838 9.1821 -0.4621 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0406 9.9161 -1.5337 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6171 10.7482 -0.0192 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1269 11.3598 -0.9019 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9469 -3.9981 0.9113 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9960 -4.0654 -0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3573 -6.2091 0.0285 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7674 -6.2860 -0.7647 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1886 -5.8866 2.2433 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5816 -5.9487 1.3867 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9637 -8.1723 2.2732 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0954 -8.1951 0.5141 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5755 -8.0935 0.5312 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5898 -9.3491 2.1979 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8149 -9.3296 3.5823 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0157 -10.6177 3.7005 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7142 -9.1900 4.7515 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8591 -7.7532 6.4608 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6638 -6.5980 5.6163 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2457 -8.1138 4.8047 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1733 -9.3278 7.1133 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2326 -8.0346 8.7850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9646 -5.6062 7.0195 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0141 -5.7055 8.8492 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3313 -6.1574 8.9728 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4838 -6.2289 7.1734 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3062 -4.0563 8.1472 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2529 -3.8007 8.9328 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3496 -3.5475 6.7333 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0201 -2.4340 6.9841 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0487 -3.3886 4.7441 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4817 -3.8315 5.6217 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1849 -5.0529 5.3691 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 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 25 26 1 0 26 27 1 0 27 28 2 0 27 29 1 0 29 30 1 0 30 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 2 0 39 40 1 0 40 41 1 0 41 42 2 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 24 48 1 0 48 49 1 0 49 50 2 0 49 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 55 56 2 0 56 57 1 0 57 58 1 0 58 59 2 0 59 60 1 0 60 61 1 0 61 62 2 0 62 63 1 0 63 64 1 0 64 65 1 0 65 66 1 0 66 67 1 0 1 68 1 0 1 69 1 0 1 70 1 0 2 71 1 0 2 72 1 0 3 73 1 0 4 74 1 0 5 75 1 0 5 76 1 0 6 77 1 0 7 78 1 0 8 79 1 0 8 80 1 0 9 81 1 0 10 82 1 0 11 83 1 0 11 84 1 0 12 85 1 0 13 86 1 0 14 87 1 0 14 88 1 0 15 89 1 0 16 90 1 0 17 91 1 0 17 92 1 0 18 93 1 0 18 94 1 0 19 95 1 0 19 96 1 0 23 97 1 0 23 98 1 0 24 99 1 1 25100 1 0 25101 1 0 29102 1 0 29103 1 0 30104 1 0 30105 1 0 31106 1 0 31107 1 0 32108 1 0 32109 1 0 33110 1 0 33111 1 0 34112 1 0 34113 1 0 35114 1 0 35115 1 0 36116 1 0 36117 1 0 37118 1 0 37119 1 0 38120 1 0 39121 1 0 40122 1 0 40123 1 0 41124 1 0 42125 1 0 43126 1 0 43127 1 0 44128 1 0 44129 1 0 45130 1 0 45131 1 0 46132 1 0 46133 1 0 47134 1 0 47135 1 0 47136 1 0 51137 1 0 51138 1 0 52139 1 0 52140 1 0 53141 1 0 53142 1 0 54143 1 0 54144 1 0 55145 1 0 56146 1 0 57147 1 0 57148 1 0 58149 1 0 59150 1 0 60151 1 0 60152 1 0 61153 1 0 62154 1 0 63155 1 0 63156 1 0 64157 1 0 64158 1 0 65159 1 0 65160 1 0 66161 1 0 66162 1 0 67163 1 0 67164 1 0 67165 1 0 M END