HMDB0286229 RDKit 3D PC(18:0/20:4(5Z,7E,11Z,14Z)-OH(9)) 141140 0 0 0 0 0 0 0 0999 V2000 2.0265 4.2797 -7.3983 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8962 3.6607 -6.6299 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1355 3.8344 -5.1424 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2409 5.2949 -4.7914 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4674 5.4962 -3.2774 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5815 6.9256 -3.0166 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7856 7.5753 -2.2367 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3406 6.9688 -1.5022 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5600 7.6199 -1.9728 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3924 8.3330 -1.2866 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2296 8.6131 0.1326 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4244 8.0935 0.8923 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3120 8.3694 2.2690 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8334 6.7314 0.6319 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2513 5.6994 1.1754 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1384 5.8553 2.0839 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5336 4.7954 2.6784 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4126 4.9772 3.5834 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8687 4.3545 3.1483 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8911 2.9048 2.9353 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1358 2.3133 1.8564 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3180 3.0339 0.9192 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1618 0.9622 1.7401 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9308 0.4385 0.6792 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.9602 -0.5423 1.1186 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8538 -0.1390 2.0800 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7186 0.9133 2.0093 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7702 1.6303 0.9983 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5899 1.1628 3.2022 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6584 -0.0938 4.0614 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3080 -1.2282 3.3176 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3752 -2.5165 4.0721 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0246 -3.0919 4.3828 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1104 -4.3641 5.1741 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7524 -4.9815 5.4316 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0860 -5.3828 4.1319 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7415 -5.9678 4.3916 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0615 -6.4187 3.0997 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8511 -7.4978 2.4150 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1893 -7.9314 1.1506 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1978 -8.4816 1.3101 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7269 -8.9036 -0.0527 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1191 -9.4559 0.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5977 -9.8697 -1.3552 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9909 -10.4163 -1.3362 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0470 -0.3678 -0.2231 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5702 -1.3563 0.5726 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6492 -2.3491 -0.2350 P 0 0 0 0 0 5 0 0 0 0 0 0 2.0395 -3.4473 0.7590 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8563 -3.1436 -1.5052 O 0 0 0 0 0 1 0 0 0 0 0 0 3.0516 -1.5969 -0.7223 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1051 -1.3494 -2.0861 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3981 -0.6743 -2.4103 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5284 -0.3864 -3.8265 N 0 0 0 0 0 4 0 0 0 0 0 0 4.4237 -1.6298 -4.5838 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4508 0.5085 -4.1908 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8324 0.1898 -4.1121 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3413 3.6270 -8.2543 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8698 4.4636 -6.7201 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7267 5.2712 -7.8204 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0379 4.2027 -6.9340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8031 2.6000 -6.8911 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3766 3.3075 -4.5672 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1381 3.3779 -4.9120 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0957 5.7768 -5.2973 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3396 5.8642 -5.0862 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6898 4.9340 -2.7959 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4519 4.9982 -3.0703 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3999 7.4876 -3.5163 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9297 8.6590 -2.0848 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0923 7.0755 -0.4327 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4511 5.8728 -1.6516 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7942 7.4829 -3.0452 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2881 8.7745 -1.7628 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2830 8.1856 0.5026 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2430 9.7246 0.3509 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2719 8.7847 0.5704 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9469 7.7398 2.6997 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6786 6.5213 -0.0567 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5912 4.6976 0.9548 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6984 6.7991 2.3603 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0321 3.8428 2.4391 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7190 4.5264 4.5759 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2812 6.0867 3.7426 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2768 4.8938 2.2389 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6202 4.6609 3.9590 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5425 2.3956 3.9030 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9840 2.5941 2.9219 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3123 1.2120 0.0393 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4186 -1.4713 1.4728 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4648 -0.9113 0.1727 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1812 1.9699 3.8434 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6047 1.4760 2.8936 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6400 -0.4113 4.3572 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2022 0.1625 4.9872 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3762 -0.9097 3.1524 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8860 -1.3730 2.3165 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9055 -3.2461 3.4298 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9939 -2.3700 4.9841 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4845 -2.3239 5.0144 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4449 -3.1575 3.4551 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7291 -5.1317 4.6712 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5367 -4.1423 6.1728 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9283 -5.9145 6.0056 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1461 -4.3184 6.0491 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9984 -4.5552 3.4066 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7410 -6.1820 3.7068 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8910 -6.8763 5.0367 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0299 -5.3160 4.9009 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0008 -5.5664 2.3874 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9522 -6.7931 3.3004 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9109 -8.4263 3.0655 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9124 -7.1831 2.2199 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1533 -7.1177 0.3843 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8167 -8.7472 0.6924 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1881 -9.3885 1.9459 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8539 -7.6859 1.7285 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0793 -9.7314 -0.4328 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7009 -8.0994 -0.7879 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1365 -10.3650 0.6578 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8304 -8.7218 0.4384 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9358 -10.6701 -1.7688 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5416 -9.0353 -2.0704 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2405 -10.9513 -0.4037 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0919 -11.1601 -2.1799 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7408 -9.6134 -1.5418 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4791 -0.8059 -1.0733 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8548 0.2887 -0.5691 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0484 -2.3201 -2.6095 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2270 -0.7479 -2.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4534 0.3173 -1.9028 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2330 -1.3307 -2.1288 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7319 -1.4943 -5.6286 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9692 -2.4513 -4.1011 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3510 -1.9103 -4.5892 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9577 0.9311 -3.2845 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8570 1.3767 -4.7609 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6656 0.0127 -4.7806 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5075 -0.6215 -4.4050 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6935 0.8493 -4.9866 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1906 0.8062 -3.2848 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 1 0 12 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 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 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 1 0 36 37 1 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 24 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 54 55 1 0 54 56 1 0 54 57 1 0 1 58 1 0 1 59 1 0 1 60 1 0 2 61 1 0 2 62 1 0 3 63 1 0 3 64 1 0 4 65 1 0 4 66 1 0 5 67 1 0 5 68 1 0 6 69 1 0 7 70 1 0 8 71 1 0 8 72 1 0 9 73 1 0 10 74 1 0 11 75 1 0 11 76 1 0 12 77 1 0 13 78 1 0 14 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 19 86 1 0 20 87 1 0 20 88 1 0 24 89 1 6 25 90 1 0 25 91 1 0 29 92 1 0 29 93 1 0 30 94 1 0 30 95 1 0 31 96 1 0 31 97 1 0 32 98 1 0 32 99 1 0 33100 1 0 33101 1 0 34102 1 0 34103 1 0 35104 1 0 35105 1 0 36106 1 0 36107 1 0 37108 1 0 37109 1 0 38110 1 0 38111 1 0 39112 1 0 39113 1 0 40114 1 0 40115 1 0 41116 1 0 41117 1 0 42118 1 0 42119 1 0 43120 1 0 43121 1 0 44122 1 0 44123 1 0 45124 1 0 45125 1 0 45126 1 0 46127 1 0 46128 1 0 52129 1 0 52130 1 0 53131 1 0 53132 1 0 55133 1 0 55134 1 0 55135 1 0 56136 1 0 56137 1 0 56138 1 0 57139 1 0 57140 1 0 57141 1 0 M CHG 2 50 -1 54 1 M END