HMDB0289292 RDKit 3D PC(20:4(8Z,11Z,14Z,17Z)-2OH(5S,6R)/DiMe(9,3)) 137137 0 0 0 0 0 0 0 0999 V2000 1.8119 11.1281 -0.4536 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9779 10.6028 -1.3187 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8050 9.6635 -0.5790 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0408 8.4080 -0.8286 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5316 7.6146 -1.9146 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6108 8.1553 -2.8952 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9352 8.2283 -4.1784 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2129 7.7979 -4.7853 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9985 6.7315 -5.7936 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5154 5.5193 -5.7164 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3614 5.0345 -4.6554 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9963 3.9364 -3.7952 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9131 3.2483 -3.7831 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7278 3.3449 -4.6057 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4883 3.6073 -3.7179 C 0 0 2 0 0 0 0 0 0 0 0 0 1.2999 2.6161 -2.7861 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2774 3.7971 -4.6064 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6040 4.8303 -5.4980 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0180 2.5875 -5.4555 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2783 1.3508 -4.6426 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4308 1.4412 -3.7002 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4700 0.1199 -2.9626 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8669 -0.8805 -3.5955 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1035 -0.0255 -1.6841 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0291 -1.0297 -0.7726 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2305 -1.7518 -0.3124 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.7837 -2.7589 -1.2321 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8385 -3.5721 -1.8544 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6466 -4.6320 -2.9129 P 0 0 0 0 0 5 0 0 0 0 0 0 -2.9930 -3.7457 -4.1277 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1471 -5.0788 -2.2632 O 0 0 0 0 0 1 0 0 0 0 0 0 -1.7377 -5.8903 -3.3898 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5127 -6.1260 -2.8473 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0475 -7.3757 -3.5096 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3285 -7.7793 -3.0655 N 0 0 0 0 0 4 0 0 0 0 0 0 1.5569 -7.5789 -1.6602 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5554 -9.2201 -3.2913 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3586 -7.1161 -3.8673 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2544 -0.9616 0.2391 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5643 -0.9258 1.5994 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8562 -1.6196 2.3482 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6724 -0.1138 2.1039 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8412 -0.1257 3.5844 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0132 -1.4967 4.1742 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3017 -1.4169 5.6680 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3463 -2.8127 6.2396 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9794 -3.4972 6.1829 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0080 -2.7577 7.0493 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6239 -3.2824 7.0287 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9362 -3.1913 5.7012 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6370 -4.0902 4.8308 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0172 -3.5610 3.7900 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4655 -4.3116 2.6240 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9273 -4.6315 2.6352 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8430 -3.4533 2.6776 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0935 -2.2112 3.9948 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6930 -1.1477 3.1272 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4940 -1.9766 5.2176 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6306 -0.6539 5.9037 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1844 11.6423 0.4350 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1122 11.7385 -1.0499 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2441 10.1942 -0.1676 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6401 11.5619 -1.3851 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7178 10.4302 -2.3407 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3052 10.0880 0.3378 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7386 7.8996 -0.0881 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3310 7.0276 -2.4507 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9113 6.7701 -1.3909 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6061 8.4845 -2.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1804 8.6484 -4.8427 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0334 7.5994 -4.1158 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5969 8.7023 -5.4064 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3622 7.0034 -6.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3015 4.8568 -6.5794 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3277 4.6719 -5.2023 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8087 5.8544 -4.0214 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8151 3.6583 -3.0163 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8941 2.4308 -2.9940 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5960 2.3490 -5.1097 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6562 4.0936 -5.3738 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6824 4.5579 -3.2053 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0549 2.9514 -1.8860 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5768 4.1601 -4.0104 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3154 4.6258 -6.4193 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8452 2.4024 -6.1081 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8767 2.8462 -6.1042 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5815 0.5727 -5.4145 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6487 0.9445 -4.2142 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4149 2.2944 -3.0208 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3943 1.4979 -4.2461 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2679 -1.8345 -1.0644 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5297 -0.6143 0.1735 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8449 -2.3546 0.6062 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5329 -3.4293 -0.6864 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4102 -2.2834 -2.0038 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1478 -5.2569 -2.9870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6439 -6.3785 -1.7560 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0926 -7.2183 -4.6118 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6542 -8.2180 -3.3535 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7598 -7.9994 -1.0401 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4972 -8.0916 -1.3174 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7017 -6.5081 -1.4747 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4481 -9.4524 -4.3861 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8847 -9.8243 -2.6813 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6254 -9.3783 -3.0466 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2506 -7.4590 -4.9260 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3776 -7.4045 -3.5465 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2409 -6.0225 -3.7446 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6160 -0.5694 1.6648 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6263 0.9372 1.7026 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9832 0.3635 4.1195 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7621 0.4514 3.8858 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1349 -2.1121 4.0453 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9431 -1.9848 3.7447 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3464 -1.0188 5.7839 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6528 -0.7323 6.1951 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0240 -3.4299 5.6163 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6862 -2.8357 7.2802 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6838 -3.5944 5.1401 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0694 -4.5375 6.6193 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3536 -2.8236 8.1229 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0434 -1.6453 6.8415 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0300 -2.6606 7.7677 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6215 -4.3009 7.4482 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0654 -5.3015 2.5040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2745 -3.7743 1.6493 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1312 -5.1470 1.6540 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2235 -5.3677 3.4043 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7938 -3.0029 3.6895 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8911 -3.8614 2.5841 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7379 -2.7455 1.8453 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7263 -1.4936 2.0844 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6648 -0.8205 3.5338 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0301 -0.2304 3.1281 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8123 -0.7789 6.9830 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4394 -0.1065 5.3850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3000 -0.0521 5.7278 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 35 36 1 0 35 37 1 0 35 38 1 0 26 39 1 0 39 40 1 0 40 41 2 0 40 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 52 56 2 0 56 57 1 0 56 58 1 0 58 59 1 0 58 50 2 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 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 14 80 1 0 15 81 1 1 16 82 1 0 17 83 1 1 18 84 1 0 19 85 1 0 19 86 1 0 20 87 1 0 20 88 1 0 21 89 1 0 21 90 1 0 25 91 1 0 25 92 1 0 26 93 1 1 27 94 1 0 27 95 1 0 33 96 1 0 33 97 1 0 34 98 1 0 34 99 1 0 36100 1 0 36101 1 0 36102 1 0 37103 1 0 37104 1 0 37105 1 0 38106 1 0 38107 1 0 38108 1 0 42109 1 0 42110 1 0 43111 1 0 43112 1 0 44113 1 0 44114 1 0 45115 1 0 45116 1 0 46117 1 0 46118 1 0 47119 1 0 47120 1 0 48121 1 0 48122 1 0 49123 1 0 49124 1 0 53125 1 0 53126 1 0 54127 1 0 54128 1 0 55129 1 0 55130 1 0 55131 1 0 57132 1 0 57133 1 0 57134 1 0 59135 1 0 59136 1 0 59137 1 0 M CHG 2 31 -1 35 1 M END