HMDB0277536 RDKit 3D PI(18:2(9Z,11E)+=O(13)/20:4(5Z,8Z,11Z,14Z)) 139139 0 0 0 0 0 0 0 0999 V2000 3.5084 3.0659 -3.0991 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1482 2.1431 -1.9759 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1131 0.6876 -2.4270 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0971 0.4838 -3.4974 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0625 -0.9878 -3.9465 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0698 -1.0891 -5.0228 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0234 -1.8757 -5.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2766 -2.7963 -3.8575 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2229 -4.1911 -4.3276 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2272 -5.0218 -4.2774 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5863 -4.8073 -3.7724 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5404 -5.0153 -4.9004 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4427 -4.2262 -5.3704 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6691 -2.8534 -4.7614 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0633 -2.8697 -4.3116 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4624 -2.7141 -3.1037 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5409 -2.4834 -1.9690 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9038 -1.1897 -1.2791 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0859 -0.8171 -0.1299 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6509 -0.5085 -0.3799 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9466 -1.2973 -1.0157 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1176 0.6666 0.1026 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8068 1.0817 -0.0616 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.9990 1.2879 1.1533 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5716 0.0924 1.7807 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3857 -0.6963 1.1085 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7614 -0.2386 -0.0188 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9762 -1.9467 1.5632 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8065 -2.2222 3.0529 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4453 -1.1160 3.8631 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3420 -1.3719 5.3403 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0748 -2.6652 5.6788 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9930 -2.9437 7.1651 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5999 -2.0012 8.0764 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9462 -1.6872 8.3386 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0409 -2.2223 7.9439 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1261 -3.3582 7.0841 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2884 -3.8856 6.7008 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2993 -5.0793 5.7945 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1901 -5.5140 5.4052 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5383 -5.6933 5.3973 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5989 -6.6073 4.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3617 -6.1019 2.8917 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0772 -5.5125 2.4845 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8803 -6.4114 2.5259 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6671 2.1679 -1.0978 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3472 3.3288 -0.9014 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9599 4.3662 -2.2071 P 0 0 0 0 0 5 0 0 0 0 0 0 -3.1951 4.5064 -3.0424 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7107 3.5935 -3.0856 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3353 5.8303 -1.7057 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2528 6.8366 -1.5782 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.0629 7.5048 -0.2434 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.7938 6.6212 0.7864 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1935 8.4601 0.0422 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.7970 9.1629 1.2070 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2235 9.4896 -1.0544 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.4337 10.1934 -0.9254 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2155 8.8949 -2.4432 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.9981 9.9312 -3.3449 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0807 7.9180 -2.6311 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.8947 8.5575 -2.3909 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7564 2.4986 -4.0188 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6720 3.7472 -3.2859 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3788 3.6969 -2.7736 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1283 2.4074 -1.5765 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8562 2.2547 -1.1289 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9442 0.0035 -1.5831 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1268 0.5109 -2.8808 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1065 0.8045 -3.1335 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3279 1.1115 -4.4088 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8913 -1.5620 -3.0444 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0955 -1.1811 -4.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2067 -0.4642 -5.9201 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6581 -1.8789 -5.8530 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3177 -2.6097 -2.9702 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3247 -2.5483 -3.5859 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7561 -4.5456 -4.7608 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0062 -6.0466 -4.6813 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6741 -3.8938 -3.2279 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7645 -5.6626 -3.0293 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4441 -6.0084 -5.4118 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0971 -4.5028 -6.2288 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6417 -2.1828 -5.6641 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8891 -2.6702 -4.0599 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8346 -3.0355 -5.0928 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5321 -2.7311 -2.7984 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8126 -3.2882 -1.2131 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4927 -2.6276 -2.1649 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0366 -0.3685 -2.0358 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9679 -1.3480 -0.9132 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5729 0.0399 0.4132 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1430 -1.6584 0.6412 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3255 0.1527 -0.6050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1305 1.9470 0.8816 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6030 1.8304 1.9304 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5610 -2.8236 0.9850 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0819 -1.9920 1.3425 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2658 -2.3293 3.2462 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3450 -3.2043 3.2169 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5308 -1.1082 3.5881 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9637 -0.1536 3.5704 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7176 -0.5296 5.9120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2470 -1.4843 5.5607 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5087 -3.4882 5.1949 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0660 -2.6219 5.2486 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1369 -4.0257 7.3300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8361 -2.8569 7.3487 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0767 -2.2106 9.1144 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0036 -0.9922 7.8668 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0805 -0.7751 9.0417 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9946 -1.7532 8.3123 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2750 -3.8732 6.7259 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1948 -3.4573 7.0387 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2963 -4.8616 5.2189 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0360 -6.2218 6.3019 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9994 -7.5342 4.4903 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6625 -7.0293 4.2408 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6765 -6.9041 2.1574 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1555 -5.2951 2.6959 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8913 -4.5008 2.9631 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1841 -5.2265 1.3856 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5307 -6.7410 1.5051 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0204 -5.8069 2.9316 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0331 -7.3456 3.0893 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9718 1.6798 -2.0682 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5688 2.4122 -1.1323 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0900 2.7895 -3.5096 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2629 6.3914 -1.6161 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1562 8.1771 -0.3821 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6313 5.7168 0.3846 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1429 8.0001 0.2915 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2006 10.0576 1.1766 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4112 10.2204 -0.9355 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1240 9.4796 -0.8167 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2125 8.4677 -2.6945 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2100 9.6879 -4.2705 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1071 7.5543 -3.6573 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5410 9.0173 -3.1980 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 25 26 1 0 26 27 2 0 26 28 1 0 28 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 2 0 36 37 1 0 37 38 2 0 38 39 1 0 39 40 2 0 39 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 23 46 1 0 46 47 1 0 47 48 1 0 48 49 2 0 48 50 1 0 48 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 53 55 1 0 55 56 1 0 55 57 1 0 57 58 1 0 57 59 1 0 59 60 1 0 59 61 1 0 61 62 1 0 61 52 1 0 1 63 1 0 1 64 1 0 1 65 1 0 2 66 1 0 2 67 1 0 3 68 1 0 3 69 1 0 4 70 1 0 4 71 1 0 5 72 1 0 5 73 1 0 6 74 1 0 7 75 1 0 8 76 1 0 8 77 1 0 9 78 1 0 10 79 1 0 11 80 1 0 11 81 1 0 12 82 1 0 13 83 1 0 14 84 1 0 14 85 1 0 15 86 1 0 16 87 1 0 17 88 1 0 17 89 1 0 18 90 1 0 18 91 1 0 19 92 1 0 19 93 1 0 23 94 1 6 24 95 1 0 24 96 1 0 28 97 1 0 28 98 1 0 29 99 1 0 29100 1 0 30101 1 0 30102 1 0 31103 1 0 31104 1 0 32105 1 0 32106 1 0 33107 1 0 33108 1 0 34109 1 0 34110 1 0 35111 1 0 36112 1 0 37113 1 0 38114 1 0 41115 1 0 41116 1 0 42117 1 0 42118 1 0 43119 1 0 43120 1 0 44121 1 0 44122 1 0 45123 1 0 45124 1 0 45125 1 0 46126 1 0 46127 1 0 50128 1 0 52129 1 1 53130 1 6 54131 1 0 55132 1 1 56133 1 0 57134 1 6 58135 1 0 59136 1 6 60137 1 0 61138 1 6 62139 1 0 M END