HMDB0116754 RDKit 3D PS(18:3(6Z,9Z,12Z)/20:2(11Z,14Z)) 132131 0 0 0 0 0 0 0 0999 V2000 7.0678 1.2434 -1.2162 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9990 0.2231 -0.0872 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3126 -0.5194 -0.0733 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4128 -1.5589 1.0077 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3267 -2.6401 0.8712 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5092 -3.6008 1.9534 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6145 -3.8555 2.8708 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2990 -3.2206 2.9586 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2014 -2.5059 4.2594 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3192 -2.7529 5.1977 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3229 -3.7715 5.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8989 -3.4828 5.0164 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3255 -2.3314 4.9835 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9359 -1.0259 4.9895 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5887 -0.2256 3.7196 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0990 -0.0132 3.5789 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0875 0.7438 2.2730 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4856 1.0342 1.9822 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4230 0.9145 2.8251 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8234 1.4811 0.6751 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1888 1.7803 0.4680 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6255 2.2294 -0.8370 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.0053 2.9131 -0.6427 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8674 3.7133 0.4845 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3429 4.5196 0.7267 P 0 0 0 0 0 5 0 0 0 0 0 0 -7.3655 3.5547 1.2455 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8005 5.1465 -0.7970 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1070 5.7905 1.8313 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5616 5.2432 2.9794 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3166 6.3428 4.0054 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.3912 7.2986 3.4146 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.7180 5.7151 5.2076 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3330 4.8641 5.8896 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4392 6.0777 5.5940 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6402 1.4186 -1.9490 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0127 1.6941 -3.1599 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3422 2.7291 -3.2051 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1682 0.7838 -4.3612 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5274 1.3195 -5.5626 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1274 1.3128 -5.8802 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0248 1.6435 -4.9666 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2000 0.5143 -3.9512 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3166 0.8966 -3.0301 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6723 -0.2841 -2.1246 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5049 -0.7966 -1.3282 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9542 -1.9904 -0.4630 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1539 -2.5151 0.3225 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6399 -3.7412 0.2747 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1677 -4.7888 -0.5651 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0181 -5.4161 -1.5782 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2166 -5.1468 -1.9178 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1417 -4.1043 -1.4036 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5654 -3.2499 -2.5860 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4683 -2.1176 -2.3423 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8073 -2.3658 -1.7633 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7686 -2.9258 -0.3912 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5413 2.1672 -0.8340 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6387 0.8305 -2.0801 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0420 1.4738 -1.5692 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1335 -0.4579 -0.3210 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7715 0.7173 0.8689 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1061 0.2624 0.0429 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4505 -0.9676 -1.0867 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2932 -1.0444 1.9881 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4237 -2.0190 0.9179 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3865 -2.1232 0.7772 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5340 -3.1846 -0.1084 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4862 -4.1396 1.9743 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9023 -4.6144 3.6265 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5061 -3.9729 2.8137 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1637 -2.4828 2.1407 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9244 -1.6989 4.4641 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3716 -2.1867 6.1451 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6046 -4.6124 4.3614 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4337 -4.3871 6.0716 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1913 -4.3947 4.9980 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1827 -2.3696 4.9485 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9532 -0.8520 5.2149 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3624 -0.4199 5.7851 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0747 -0.6091 2.8278 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0286 0.7861 3.9280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3341 0.5430 4.4189 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4338 -0.9890 3.5104 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4433 0.2463 1.4855 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3869 1.7639 2.5026 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3995 2.6184 1.2122 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8403 0.9410 0.8275 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9850 3.1526 -1.1268 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2458 3.5566 -1.4925 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7849 2.1475 -0.3980 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3569 6.0305 -0.8913 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2754 4.5152 3.3771 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5624 4.7963 2.7639 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2555 6.8718 4.2011 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4226 6.8967 3.4626 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6283 7.4250 2.4050 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6069 5.8991 5.0722 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2721 0.7390 -4.5391 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8921 -0.2432 -4.0829 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9924 2.3815 -5.7095 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0626 0.8006 -6.4588 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8027 0.3061 -6.3754 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0040 1.9867 -6.8163 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 2.6233 -4.5026 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9352 1.6048 -5.5823 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5887 -0.3980 -4.5181 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6924 0.1689 -3.4567 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2101 1.2399 -3.5836 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0287 1.7082 -2.3382 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4335 0.1022 -1.3973 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1617 -1.0886 -2.7045 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2362 -1.2032 -2.0878 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0300 -0.0693 -0.7454 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3165 -2.7199 -1.1836 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7827 -1.6089 0.1974 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6265 -1.7859 1.0254 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4569 -3.9452 1.0014 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1579 -5.7045 0.0937 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8400 -4.5478 -1.0227 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5111 -6.2673 -2.1352 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6539 -5.7919 -2.7330 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0602 -4.6455 -1.0322 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7423 -3.4205 -0.6801 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9816 -3.8963 -3.4033 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6026 -2.8500 -3.0162 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6531 -1.6429 -3.3732 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9333 -1.2736 -1.8059 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4339 -1.4197 -1.7913 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3840 -3.0827 -2.4101 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5529 -2.3361 0.2226 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1528 -3.9785 -0.3371 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8294 -2.7790 0.1484 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 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 2 0 25 27 1 0 25 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 30 32 1 0 32 33 2 0 32 34 1 0 22 35 1 0 35 36 1 0 36 37 2 0 36 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 2 0 48 49 1 0 49 50 1 0 50 51 2 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 1 57 1 0 1 58 1 0 1 59 1 0 2 60 1 0 2 61 1 0 3 62 1 0 3 63 1 0 4 64 1 0 4 65 1 0 5 66 1 0 5 67 1 0 6 68 1 0 7 69 1 0 8 70 1 0 8 71 1 0 9 72 1 0 10 73 1 0 11 74 1 0 11 75 1 0 12 76 1 0 13 77 1 0 14 78 1 0 14 79 1 0 15 80 1 0 15 81 1 0 16 82 1 0 16 83 1 0 17 84 1 0 17 85 1 0 21 86 1 0 21 87 1 0 22 88 1 6 23 89 1 0 23 90 1 0 27 91 1 0 29 92 1 0 29 93 1 0 30 94 1 1 31 95 1 0 31 96 1 0 34 97 1 0 38 98 1 0 38 99 1 0 39100 1 0 39101 1 0 40102 1 0 40103 1 0 41104 1 0 41105 1 0 42106 1 0 42107 1 0 43108 1 0 43109 1 0 44110 1 0 44111 1 0 45112 1 0 45113 1 0 46114 1 0 46115 1 0 47116 1 0 48117 1 0 49118 1 0 49119 1 0 50120 1 0 51121 1 0 52122 1 0 52123 1 0 53124 1 0 53125 1 0 54126 1 0 54127 1 0 55128 1 0 55129 1 0 56130 1 0 56131 1 0 56132 1 0 M END