HMDB0062293 RDKit 3D 15R-hydroxy-5Z,8Z,11Z,13E,17Z-eicosapentaenoic acid 53 52 0 0 0 0 0 0 0 0999 V2000 8.3287 0.9592 0.5053 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2486 0.2376 1.3392 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2844 1.2636 1.7052 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0310 1.2106 1.3659 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4503 0.1280 0.5874 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3515 -0.4916 1.4731 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3781 0.4452 1.7980 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6913 -1.6300 0.8034 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5472 -1.4118 0.1727 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8326 -2.4580 -0.5073 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2850 -2.3503 -1.1482 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9709 -1.0303 -1.2381 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0772 -0.6981 -2.6804 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2363 -0.5174 -3.2587 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5426 -0.6161 -2.5798 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2016 0.7092 -2.7238 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5563 1.4314 -1.7136 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3733 1.0730 -0.3172 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7350 1.0126 0.3845 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4979 0.6357 1.8360 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7917 0.5695 2.5346 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3434 1.6247 2.9138 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.3970 -0.6426 2.7727 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4807 1.9441 0.9571 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2467 0.3446 0.4363 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8403 1.1225 -0.4860 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9367 -0.5915 0.7280 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8118 -0.1471 2.2474 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6951 2.1131 2.3049 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3449 2.0198 1.6738 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9665 0.4991 -0.3692 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0687 -0.7024 0.2891 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8076 -0.8091 2.4353 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7105 1.1042 2.4715 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1438 -2.6019 0.8384 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1897 -0.4105 0.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2831 -3.4641 -0.4821 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7753 -3.2084 -1.6485 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3674 -0.2571 -0.7039 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9288 -1.0465 -0.7093 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1566 -0.5988 -3.2893 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2494 -0.2681 -4.3551 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1710 -1.3513 -3.2090 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5272 -1.0493 -1.6084 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3599 1.0192 -3.7746 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0435 2.4124 -1.9097 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8320 0.1735 -0.0732 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7912 1.9185 0.1637 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2159 2.0058 0.3198 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3493 0.2268 -0.0743 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9678 -0.3252 1.8738 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9154 1.4650 2.2871 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0109 -0.9912 2.0277 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 6 8 1 0 8 9 2 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 1 0 20 21 1 0 21 22 2 0 21 23 1 0 1 24 1 0 1 25 1 0 1 26 1 0 2 27 1 0 2 28 1 0 3 29 1 0 4 30 1 0 5 31 1 0 5 32 1 0 6 33 1 1 7 34 1 0 8 35 1 0 9 36 1 0 10 37 1 0 11 38 1 0 12 39 1 0 12 40 1 0 13 41 1 0 14 42 1 0 15 43 1 0 15 44 1 0 16 45 1 0 17 46 1 0 18 47 1 0 18 48 1 0 19 49 1 0 19 50 1 0 20 51 1 0 20 52 1 0 23 53 1 0 M END