HMDB0274029 RDKit 3D PGP(20:4(8Z,11Z,14Z,17Z)-2OH(5S,6R)/22:5(4Z,7Z,10Z,13Z,16Z)) 143142 0 0 0 0 0 0 0 0999 V2000 -7.9333 -0.8857 0.5244 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7176 -0.2683 -0.2112 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1948 0.2995 -1.4840 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8111 -0.0324 -2.6985 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7962 -1.0758 -2.9148 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6168 -0.5704 -3.6503 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2493 -1.0070 -4.7995 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8459 -2.0288 -5.6288 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0370 -2.7356 -5.3222 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2282 -4.0129 -5.1391 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3104 -5.1239 -5.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9228 -5.0143 -5.5041 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9484 -5.3175 -4.6477 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0944 -5.8015 -3.2810 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5289 -4.9087 -2.2008 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.1082 -3.6415 -2.1669 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0741 -4.9584 -1.9784 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6677 -6.3021 -2.0997 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1902 -4.1187 -2.8167 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4643 -2.6427 -2.7196 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5141 -1.8631 -3.6150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1793 -0.4035 -3.4599 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7538 0.0609 -4.1444 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8707 0.4226 -2.5886 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4806 1.7967 -2.4993 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3264 2.5464 -1.5198 C 0 0 2 0 0 0 0 0 0 0 0 0 2.7669 2.6845 -1.9664 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3562 3.5908 -1.0659 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9899 3.8335 -1.5145 P 0 0 0 0 0 5 0 0 0 0 0 0 5.5833 4.7773 -0.4970 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8201 2.3731 -1.4208 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0647 4.4838 -3.0771 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4018 5.8229 -3.0535 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4243 6.3261 -4.4809 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3479 5.6335 -5.2414 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0548 6.1876 -5.1247 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1359 6.7257 -6.4189 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6140 6.5961 -7.1693 P 0 0 0 0 0 5 0 0 0 0 0 0 1.7266 7.7316 -6.7290 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8380 6.6271 -8.8504 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9258 5.1275 -6.7155 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2891 2.0536 -0.2090 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8200 2.8154 0.8542 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4343 3.9980 0.5409 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7394 2.3732 2.2511 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9622 2.7687 3.0859 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7860 2.3133 4.4728 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5971 1.4841 5.0609 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8150 0.8599 4.4653 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7455 -0.5923 4.4495 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8003 -1.3073 3.3615 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9311 -0.7848 2.0492 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9264 -1.0417 1.0435 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8051 -1.6607 1.0088 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1354 -2.3657 2.1106 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2401 -1.7819 2.2660 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7274 -1.2367 3.3263 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0035 -1.0885 4.6061 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7368 -1.7912 5.6853 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2072 -1.1098 6.7364 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0559 0.3140 6.9104 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2925 0.8642 8.0467 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6870 0.6701 9.4359 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7267 -0.7146 10.0102 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1099 -0.6225 11.5126 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7014 -0.9662 1.6231 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1781 -1.8589 0.0885 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7603 -0.1652 0.4234 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9301 -0.9863 -0.2062 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3758 0.5633 0.4928 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9706 1.1011 -1.3506 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2890 0.5109 -3.5198 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3258 -1.2503 -1.8561 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1545 -2.0641 -3.1306 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0085 0.2528 -3.1588 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3058 -0.4989 -5.2132 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0067 -2.7387 -5.8946 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0016 -1.5670 -6.7149 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9846 -2.0683 -5.2537 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3304 -4.2400 -4.9027 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7383 -5.9396 -5.9176 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4664 -5.7010 -4.2087 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5604 -4.7225 -6.5173 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9124 -5.1964 -5.0136 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0922 -6.1975 -3.0027 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4417 -6.7517 -3.1841 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9783 -5.3851 -1.2377 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8832 -3.6540 -2.7496 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9030 -4.7448 -0.8793 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9888 -6.8019 -1.3236 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8509 -4.2299 -2.3512 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0604 -4.4895 -3.8287 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3540 -2.2335 -1.7177 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4642 -2.4180 -3.1846 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5346 -2.0968 -3.3145 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3753 -2.1009 -4.6712 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5210 2.2293 -3.5086 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5603 1.7874 -2.0915 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9075 3.6017 -1.4998 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8629 3.0027 -3.0087 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2534 1.7152 -1.8358 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5048 2.3839 -0.6781 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7639 6.4077 -2.3948 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4553 5.9306 -2.6772 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6945 7.4146 -4.5395 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8964 5.0853 -5.9371 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2930 6.7809 -4.5925 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8311 5.1080 -5.1861 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9296 6.7344 -9.2585 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1887 5.2628 -6.0426 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1566 2.8410 2.7496 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6627 1.2725 2.2885 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0369 3.8815 3.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8115 2.3214 2.5822 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9139 2.7052 5.0322 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3634 1.2118 6.1057 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2198 1.3792 3.6080 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6129 1.0909 5.2766 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6389 -1.0858 5.4405 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7836 -2.4043 3.5128 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1344 0.3276 1.9977 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9285 -1.2182 1.6263 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1995 -0.5820 0.0255 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2185 -1.6964 0.0249 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9416 -3.4437 1.8497 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6419 -2.2301 3.0319 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9035 -1.8310 1.3611 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7654 -0.8267 3.3454 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0384 -1.5182 4.5936 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1512 -0.0172 4.7567 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8967 -2.8716 5.6292 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7662 -1.7187 7.4748 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8232 0.9093 5.9959 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1528 0.7153 7.1010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8080 0.5263 7.9729 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1889 1.9799 7.8559 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0609 1.2533 10.0782 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6622 1.2140 9.6784 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4990 -1.3478 9.5716 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2539 -1.2240 9.9542 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4076 -1.6385 11.8106 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2473 -0.2635 12.0888 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9643 0.1023 11.5339 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 15 17 1 0 17 18 1 0 17 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 2 0 29 31 1 0 29 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 34 36 1 0 36 37 1 0 37 38 1 0 38 39 2 0 38 40 1 0 38 41 1 0 26 42 1 0 42 43 1 0 43 44 2 0 43 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 2 0 54 55 1 0 55 56 1 0 56 57 2 0 57 58 1 0 58 59 1 0 59 60 2 0 60 61 1 0 61 62 1 0 62 63 1 0 63 64 1 0 64 65 1 0 1 66 1 0 1 67 1 0 1 68 1 0 2 69 1 0 2 70 1 0 3 71 1 0 4 72 1 0 5 73 1 0 5 74 1 0 6 75 1 0 7 76 1 0 8 77 1 0 8 78 1 0 9 79 1 0 10 80 1 0 11 81 1 0 11 82 1 0 12 83 1 0 13 84 1 0 14 85 1 0 14 86 1 0 15 87 1 1 16 88 1 0 17 89 1 1 18 90 1 0 19 91 1 0 19 92 1 0 20 93 1 0 20 94 1 0 21 95 1 0 21 96 1 0 25 97 1 0 25 98 1 0 26 99 1 1 27100 1 0 27101 1 0 31102 1 0 33103 1 0 33104 1 0 34105 1 1 35106 1 0 36107 1 0 36108 1 0 40109 1 0 41110 1 0 45111 1 0 45112 1 0 46113 1 0 46114 1 0 47115 1 0 48116 1 0 49117 1 0 49118 1 0 50119 1 0 51120 1 0 52121 1 0 52122 1 0 53123 1 0 54124 1 0 55125 1 0 55126 1 0 56127 1 0 57128 1 0 58129 1 0 58130 1 0 59131 1 0 60132 1 0 61133 1 0 61134 1 0 62135 1 0 62136 1 0 63137 1 0 63138 1 0 64139 1 0 64140 1 0 65141 1 0 65142 1 0 65143 1 0 M END