HMDB0286397 RDKit 3D PC(18:1(11Z)/22:5(4Z,7Z,10Z,13Z,19Z)-O(16,17)) 141141 0 0 0 0 0 0 0 0999 V2000 4.1127 -5.6777 3.4670 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8937 -6.2841 2.2964 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7650 -5.2271 1.7723 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6973 -4.7838 0.5492 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7761 -5.2246 -0.5242 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6375 -5.7397 -1.6599 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5084 -4.6175 -2.1021 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5793 -5.1562 -2.9837 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4067 -4.2656 -3.4104 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6541 -3.8328 -4.8006 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8766 -4.0679 -5.8211 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5899 -4.8300 -5.7234 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4558 -3.9782 -6.1263 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4579 -3.6775 -5.3535 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3033 -4.1466 -3.9453 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9976 -4.8866 -3.9000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9660 -4.5018 -3.1069 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9291 -3.3403 -2.1744 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2263 -3.9122 -0.8084 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4336 -3.8426 0.2143 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0869 -3.2075 0.2965 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1913 -2.1359 1.3381 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0700 -1.4346 1.6530 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1309 -1.8306 1.1173 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1459 -0.3815 2.5007 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1942 0.3765 2.9455 C 0 0 2 0 0 0 0 0 0 0 0 0 2.3496 0.2587 4.4851 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1770 0.6459 5.0965 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9342 0.6859 6.4385 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8267 0.3602 7.2541 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4318 1.1264 6.9488 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2880 1.4307 5.7169 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6811 1.8403 6.0062 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4501 2.1442 4.7192 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4855 0.9664 3.8097 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2196 1.1856 2.5213 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5904 2.3396 1.7379 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2877 2.5120 0.4038 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6964 3.7141 -0.3608 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4102 3.7622 -1.6537 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7666 3.7242 -2.8075 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3165 3.6391 -2.9982 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9007 2.3842 -3.7570 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3905 2.3852 -3.9429 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1392 1.1979 -4.6654 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1410 -0.1040 -3.9532 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4899 -0.1285 -2.5765 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1796 1.8451 2.6324 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1102 2.5426 3.1219 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3147 4.1652 2.7219 P 0 0 0 0 0 5 0 0 0 0 0 0 2.8194 4.4137 2.6718 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6875 5.1752 3.9318 O 0 0 0 0 0 1 0 0 0 0 0 0 0.6477 4.6081 1.2528 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5676 5.4235 0.6013 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1361 5.9370 -0.7238 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0479 6.7430 -0.7335 N 0 0 0 0 0 4 0 0 0 0 0 0 0.3173 8.1621 -0.5470 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6280 6.6546 -2.0617 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9950 6.4576 0.3099 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5880 -6.4520 4.0455 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4007 -4.9221 3.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8424 -5.1229 4.0869 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1640 -6.6664 1.5821 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4930 -7.1325 2.7545 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5355 -4.7602 2.4286 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4071 -3.9803 0.2680 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0338 -5.9522 -0.2017 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2399 -4.2940 -0.8522 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1612 -6.6735 -1.4854 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9859 -5.7424 -3.8328 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4488 -3.3448 -2.7862 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5053 -4.8495 -3.2418 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5755 -3.2613 -4.9829 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1366 -3.7100 -6.8135 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4164 -5.3337 -4.7991 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6530 -5.6185 -6.5664 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4459 -3.5643 -7.1588 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3439 -3.0213 -5.7682 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4073 -3.3396 -3.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0635 -4.8956 -3.6916 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0971 -5.7400 -4.5428 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8843 -5.1279 -3.1664 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0000 -2.8031 -2.1065 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7942 -2.6651 -2.4764 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2112 -4.4330 -0.6815 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8301 -4.3308 1.1461 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2937 -2.8141 -0.6345 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5962 -3.9935 0.7423 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9283 -1.3768 1.0024 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5661 -2.6550 2.2704 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1389 -0.0143 2.5365 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1600 0.9708 4.7409 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7126 -0.7553 4.7088 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3523 1.9607 7.6429 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8497 0.2525 7.4771 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7135 2.1683 5.1363 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3177 0.4940 5.0806 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2347 1.1387 6.6607 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6606 2.8133 6.5612 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4875 2.3709 5.0248 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0370 3.0677 4.2798 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9796 0.1349 4.3581 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4832 0.5678 3.5179 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0763 0.2614 1.8953 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2970 1.3242 2.6410 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5205 2.1668 1.5725 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6974 3.2437 2.3645 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1678 1.6241 -0.2296 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3402 2.7838 0.6183 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6166 3.6198 -0.4140 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9456 4.6514 0.1925 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5113 3.8325 -1.6954 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4117 3.7612 -3.7080 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0667 4.4767 -3.7377 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6903 3.7384 -2.1184 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1810 1.5060 -3.1682 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4385 2.3794 -4.7072 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1192 2.4589 -2.9541 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0511 3.2970 -4.5136 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3800 1.1390 -5.6599 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2229 1.3097 -4.7614 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2297 -0.9047 -4.6038 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2340 -0.2116 -3.8691 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8126 -1.1595 -2.3168 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4386 0.4813 -2.6133 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1648 0.2540 -1.7812 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0960 2.3204 3.0983 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2743 2.0520 1.5471 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9649 6.1993 1.2868 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4547 4.7563 0.4011 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9693 6.6046 -1.0864 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0979 5.0928 -1.4393 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6477 8.7246 -0.6071 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7144 8.3263 0.4655 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9493 8.5236 -1.3633 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6552 7.6325 -2.5906 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6822 6.2898 -2.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0541 5.9718 -2.7242 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9090 7.0837 0.0843 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3219 5.4215 0.3673 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5886 6.8741 1.2587 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 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 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 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 2 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 26 48 1 0 48 49 1 0 49 50 1 0 50 51 2 0 50 52 1 0 50 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 56 58 1 0 56 59 1 0 8 6 1 0 1 60 1 0 1 61 1 0 1 62 1 0 2 63 1 0 2 64 1 0 3 65 1 0 4 66 1 0 5 67 1 0 5 68 1 0 6 69 1 0 8 70 1 0 9 71 1 0 9 72 1 0 10 73 1 0 11 74 1 0 12 75 1 0 12 76 1 0 13 77 1 0 14 78 1 0 15 79 1 0 15 80 1 0 16 81 1 0 17 82 1 0 18 83 1 0 18 84 1 0 19 85 1 0 20 86 1 0 21 87 1 0 21 88 1 0 22 89 1 0 22 90 1 0 26 91 1 6 27 92 1 0 27 93 1 0 31 94 1 0 31 95 1 0 32 96 1 0 32 97 1 0 33 98 1 0 33 99 1 0 34100 1 0 34101 1 0 35102 1 0 35103 1 0 36104 1 0 36105 1 0 37106 1 0 37107 1 0 38108 1 0 38109 1 0 39110 1 0 39111 1 0 40112 1 0 41113 1 0 42114 1 0 42115 1 0 43116 1 0 43117 1 0 44118 1 0 44119 1 0 45120 1 0 45121 1 0 46122 1 0 46123 1 0 47124 1 0 47125 1 0 47126 1 0 48127 1 0 48128 1 0 54129 1 0 54130 1 0 55131 1 0 55132 1 0 57133 1 0 57134 1 0 57135 1 0 58136 1 0 58137 1 0 58138 1 0 59139 1 0 59140 1 0 59141 1 0 M CHG 2 52 -1 56 1 M END