HMDB0276958 RDKit 3D PI(20:3(6,8,11)-OH(5)/18:3(9Z,12Z,15Z)) 141141 0 0 0 0 0 0 0 0999 V2000 -7.6453 3.1384 -1.6630 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9585 3.1121 -0.2932 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9165 4.1461 -0.2374 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6255 3.9532 -0.0487 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0726 2.6045 0.1313 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3570 2.3998 1.4180 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0884 2.0690 1.4444 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3056 1.8930 0.1590 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8875 0.4847 0.0288 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3419 0.0376 -0.0891 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5442 0.8757 -0.1145 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3255 0.6807 -1.3873 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8921 -0.6344 -1.6800 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9956 -1.1969 -0.9081 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9497 -1.4627 0.5154 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9874 -2.3945 1.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9865 -3.8176 0.7164 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7390 -4.2181 -0.6586 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6922 -4.7917 -1.3086 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5504 -4.0505 -1.3734 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4463 -4.5261 -2.7370 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1484 -3.4111 -3.6982 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1043 -2.8413 -3.4979 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5891 -1.7406 -4.1768 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1158 -1.1586 -5.0217 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9503 -1.2918 -3.8715 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3449 0.0344 -4.4315 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5143 1.1617 -3.8926 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9697 2.4953 -4.4572 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8509 2.6030 -5.8080 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4316 3.6241 -3.6905 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2379 3.6621 -3.1491 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2541 4.8021 -2.3880 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4673 4.8191 -1.8473 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9345 6.0279 -1.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2363 5.5832 0.3390 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3937 5.6880 0.9529 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5858 5.2051 2.3598 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3157 4.5999 2.8921 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5404 4.1223 4.3024 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9386 5.2021 5.2692 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0936 4.6170 6.6368 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8415 3.9590 7.1412 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6713 4.9056 7.1665 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6001 4.2711 7.6608 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3669 -5.5752 -2.7205 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0725 -6.1944 -3.8999 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1967 -7.3257 -3.6685 P 0 0 0 0 0 5 0 0 0 0 0 0 -2.0858 -7.2992 -4.8797 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5315 -8.8558 -3.4175 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0829 -6.7725 -2.3387 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8858 -7.7551 -1.7655 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.3679 -7.9170 -0.3321 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.9062 -9.0073 0.3099 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7285 -6.6488 0.4057 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.2478 -5.5230 -0.2360 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2175 -6.5977 0.6104 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.4995 -7.2603 1.8207 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0016 -7.2732 -0.4693 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.1905 -6.5292 -0.6570 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3053 -7.2676 -1.8073 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.4166 -6.0091 -2.4291 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.4352 3.8843 -1.6954 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1667 2.1404 -1.7748 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9183 3.2405 -2.4685 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6893 2.0930 -0.0985 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7901 3.3955 0.4415 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2531 5.1890 -0.3615 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9660 4.8095 -0.0283 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5621 2.2157 -0.7574 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9448 1.8572 0.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9619 2.5389 2.3229 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5985 1.9196 2.3909 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3660 2.4962 0.4005 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7866 2.2995 -0.7132 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7424 -0.2390 0.0417 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4073 -1.0594 -0.1981 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1145 0.7482 0.8048 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2550 1.9519 -0.1291 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1916 1.4111 -1.3084 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7239 1.1092 -2.2350 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0929 -1.4383 -1.7420 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2417 -0.5978 -2.7729 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2646 -2.1886 -1.4248 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9760 -0.6141 -1.1158 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9945 -1.8859 0.7829 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9644 -0.5283 1.1467 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2276 -2.3985 2.2377 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9334 -2.0409 1.1005 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2958 -4.4259 1.3993 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0100 -4.2196 1.0676 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4042 -4.9925 -2.9815 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9877 -2.6875 -3.7142 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1001 -3.8830 -4.7365 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6717 -2.0773 -4.2029 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1033 -1.2610 -2.7467 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4026 0.2293 -4.1949 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2964 -0.0247 -5.5427 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4450 0.9930 -4.1847 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5789 1.1931 -2.8062 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1132 2.5346 -4.2687 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7363 3.5435 -6.1154 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0600 4.5031 -3.5467 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3968 2.7898 -3.2806 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3697 5.6573 -2.2539 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1407 4.0089 -1.9458 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7805 6.4828 -1.5635 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1055 6.7586 -1.0222 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3970 5.1384 0.8682 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2265 6.1214 0.4498 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4555 4.5496 2.4214 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7897 6.1136 2.9570 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9586 3.7548 2.2581 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4777 5.3240 2.9079 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3711 3.3539 4.3393 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6152 3.6393 4.7178 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8964 5.6681 4.9236 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1464 5.9698 5.2726 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9312 3.9254 6.7387 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3299 5.4625 7.3523 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0146 3.6784 8.2303 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6340 3.0212 6.6210 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9008 5.7807 7.7873 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4762 5.2008 6.1074 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0754 4.9378 8.4365 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4480 3.2974 8.1584 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3825 4.1925 6.8641 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5822 -6.3471 -1.9384 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5756 -5.0582 -2.3710 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1268 -8.7497 -2.6662 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7325 -8.6903 -2.3513 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2530 -7.9819 -0.4357 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3379 -9.6089 -0.3368 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2191 -6.7288 1.4064 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9077 -4.9010 0.4628 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4999 -5.5253 0.7673 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8602 -6.9837 2.5508 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3272 -8.2807 -0.2113 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0974 -5.6077 -0.2933 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8773 -7.9617 -2.4541 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6985 -5.3875 -1.7038 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 1 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 2 0 24 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 29 31 1 0 31 32 2 0 32 33 1 0 33 34 2 0 34 35 1 0 35 36 1 0 36 37 2 0 37 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 21 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 4 69 1 0 5 70 1 0 5 71 1 0 6 72 1 0 7 73 1 0 8 74 1 0 8 75 1 0 9 76 1 0 10 77 1 0 11 78 1 0 11 79 1 0 12 80 1 0 12 81 1 0 13 82 1 0 13 83 1 0 14 84 1 0 14 85 1 0 15 86 1 0 15 87 1 0 16 88 1 0 16 89 1 0 17 90 1 0 17 91 1 0 21 92 1 6 22 93 1 0 22 94 1 0 26 95 1 0 26 96 1 0 27 97 1 0 27 98 1 0 28 99 1 0 28100 1 0 29101 1 0 30102 1 0 31103 1 0 32104 1 0 33105 1 0 34106 1 0 35107 1 0 35108 1 0 36109 1 0 37110 1 0 38111 1 0 38112 1 0 39113 1 0 39114 1 0 40115 1 0 40116 1 0 41117 1 0 41118 1 0 42119 1 0 42120 1 0 43121 1 0 43122 1 0 44123 1 0 44124 1 0 45125 1 0 45126 1 0 45127 1 0 46128 1 0 46129 1 0 50130 1 0 52131 1 6 53132 1 6 54133 1 0 55134 1 1 56135 1 0 57136 1 1 58137 1 0 59138 1 1 60139 1 0 61140 1 6 62141 1 0 M END