HMDB0116467 RDKit 3D PGP(20:4(8Z,11Z,14Z,17Z)/20:1(11Z)) 143142 0 0 0 0 0 0 0 0999 V2000 -6.2120 3.3974 -6.6288 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2660 2.1978 -6.9115 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7253 2.3587 -8.2539 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4978 2.4728 -8.6116 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2928 2.4703 -7.8057 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3537 2.2165 -6.3771 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0356 3.0843 -5.4492 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5550 4.4821 -5.6986 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5632 5.3672 -5.0426 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2134 6.1200 -4.0623 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8345 6.1888 -3.4930 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0396 5.7223 -2.0721 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7684 6.3810 -0.9932 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1990 7.7141 -1.0351 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1685 7.6804 -0.2932 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9360 7.2050 1.0876 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1369 7.1612 1.9705 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2843 6.3391 1.4830 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2756 6.3228 2.7115 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3862 5.6436 3.7689 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0506 6.1640 4.8258 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9370 4.3821 3.4907 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0892 3.5528 4.2208 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0101 2.2624 3.3741 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7835 1.4960 3.4883 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6563 0.7816 4.6502 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8182 -0.1111 4.6134 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.8743 0.7496 5.2151 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5529 -1.5180 5.4957 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1615 -0.5495 3.0131 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2588 0.0732 2.4789 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3892 -0.4039 1.0314 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.5057 0.2038 0.4517 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1692 0.0062 0.2333 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2415 -0.3898 -1.0859 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1675 0.1275 -1.8838 P 0 0 0 0 0 5 0 0 0 0 0 0 0.6729 1.4229 -1.2809 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0922 0.3612 -3.5445 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3737 -1.0595 -1.6709 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2402 1.6419 3.4065 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1951 1.6330 2.4009 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9695 2.2310 1.3456 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4462 0.9117 2.6239 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4337 -0.0445 3.7986 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4032 -1.0910 3.6509 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2543 -2.1114 4.6941 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3249 -3.0436 5.0206 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9439 -3.9506 4.0435 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1203 -4.9508 3.3355 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1322 -4.3398 2.4055 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2914 -5.4285 1.6939 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3862 -4.6969 0.7908 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0850 -4.6861 0.8118 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2971 -5.4419 1.7939 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5837 -6.4083 0.9838 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4159 -7.1986 1.9671 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2821 -8.1665 1.2307 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2470 -7.5257 0.2730 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0583 -8.6326 -0.4101 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0379 -8.0261 -1.3746 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8700 -9.0411 -2.0833 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1500 3.3120 -7.1996 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5062 3.4088 -5.5605 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6796 4.3174 -6.9148 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6439 2.0144 -6.0682 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0163 1.3247 -6.9113 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5414 2.3895 -9.0681 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3510 2.5935 -9.7439 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7043 3.4112 -8.0662 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5424 1.6864 -8.2798 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6471 1.1867 -6.0698 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1280 2.7541 -4.3959 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6270 4.7431 -6.7961 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5480 4.5260 -5.3403 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6062 5.3595 -5.4203 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9567 6.7686 -3.5894 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0905 5.5383 -3.9038 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5730 7.2651 -3.5342 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4731 4.7084 -1.9539 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0041 5.9149 -0.0115 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0416 8.1568 -1.9939 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8786 8.4066 -0.4514 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6043 8.6959 -0.3651 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7573 6.9167 -0.8579 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4764 6.1676 1.0303 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1459 7.7998 1.6307 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5085 8.1870 2.1869 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8087 6.7047 2.9488 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8532 6.7655 0.6458 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0460 5.2705 1.3288 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0755 5.6407 2.4312 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4921 7.3158 3.0309 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4894 3.2980 5.2342 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0544 3.9515 4.2962 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9763 2.7191 2.2939 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0859 2.2345 3.5014 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5732 0.8476 2.5989 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0300 -2.1541 4.8988 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2245 -0.1634 2.9800 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1385 1.1973 2.4073 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5299 -1.4957 0.9468 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8252 -0.2575 -0.3557 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0660 1.1371 0.2389 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2710 -0.3892 0.7608 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8234 0.3827 -3.9510 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2880 -0.6312 -1.6651 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2095 1.7121 2.8968 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8758 0.4271 1.7318 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3161 0.6026 4.6912 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4611 -0.5112 3.8029 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5664 -1.5613 2.6381 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4017 -0.5971 3.5261 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2642 -2.5864 4.6906 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1426 -1.4953 5.7118 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8565 -3.7611 5.8051 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1349 -2.5830 5.6802 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7133 -4.5592 4.6506 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6397 -3.4141 3.3277 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7815 -5.6412 2.7337 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5635 -5.6176 4.0455 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4118 -3.6556 2.8363 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6469 -3.7686 1.5719 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0158 -6.0123 1.0617 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8265 -6.0810 2.4171 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8605 -4.0708 -0.0145 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5745 -4.0686 0.0401 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9388 -6.0362 2.4423 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3842 -4.7667 2.3862 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0395 -7.1007 0.4020 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2808 -5.8451 0.3461 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7182 -7.7893 2.6006 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0040 -6.4791 2.5560 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6801 -8.8978 0.6561 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9271 -8.7391 1.9631 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7593 -6.9363 -0.5225 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9732 -6.8773 0.8130 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3103 -9.2713 -0.9766 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5243 -9.2734 0.3494 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6968 -7.3002 -0.8182 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4384 -7.4554 -2.1364 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3988 -9.3218 -3.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8794 -8.6109 -2.3321 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0884 -9.9519 -1.4915 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 1 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 27 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 32 34 1 0 34 35 1 0 35 36 1 0 36 37 2 0 36 38 1 0 36 39 1 0 24 40 1 0 40 41 1 0 41 42 2 0 41 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 2 0 53 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 58 59 1 0 59 60 1 0 60 61 1 0 1 62 1 0 1 63 1 0 1 64 1 0 2 65 1 0 2 66 1 0 3 67 1 0 4 68 1 0 5 69 1 0 5 70 1 0 6 71 1 0 7 72 1 0 8 73 1 0 8 74 1 0 9 75 1 0 10 76 1 0 11 77 1 0 11 78 1 0 12 79 1 0 13 80 1 0 14 81 1 0 14 82 1 0 15 83 1 0 15 84 1 0 16 85 1 0 16 86 1 0 17 87 1 0 17 88 1 0 18 89 1 0 18 90 1 0 19 91 1 0 19 92 1 0 23 93 1 0 23 94 1 0 24 95 1 6 25 96 1 0 25 97 1 0 29 98 1 0 31 99 1 0 31100 1 0 32101 1 1 33102 1 0 34103 1 0 34104 1 0 38105 1 0 39106 1 0 43107 1 0 43108 1 0 44109 1 0 44110 1 0 45111 1 0 45112 1 0 46113 1 0 46114 1 0 47115 1 0 47116 1 0 48117 1 0 48118 1 0 49119 1 0 49120 1 0 50121 1 0 50122 1 0 51123 1 0 51124 1 0 52125 1 0 53126 1 0 54127 1 0 54128 1 0 55129 1 0 55130 1 0 56131 1 0 56132 1 0 57133 1 0 57134 1 0 58135 1 0 58136 1 0 59137 1 0 59138 1 0 60139 1 0 60140 1 0 61141 1 0 61142 1 0 61143 1 0 M END