HMDB0062290 RDKit 3D 12R-hydroxy-5Z,8Z,12Z-eicosatrienoic acid 57 56 0 0 0 0 0 0 0 0999 V2000 -7.6407 0.3807 1.6494 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1404 -0.2988 0.4243 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1931 -0.8552 -0.5538 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2717 0.0604 -1.2355 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2477 0.7507 -0.3818 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3417 -0.2088 0.2678 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0441 -0.2961 0.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2643 0.6078 -0.6769 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2703 1.3687 0.1636 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.5412 2.2119 -0.6623 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4439 0.4808 1.0068 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3535 -0.5120 0.2107 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2863 0.0946 -0.7528 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5803 -0.0892 -0.6709 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2611 -0.8910 0.3504 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1955 0.0338 1.0642 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4867 -0.0964 1.1396 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2078 -1.2005 0.5154 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2246 -0.7198 -0.5148 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2518 0.1802 0.1184 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2038 0.6104 -0.9262 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1535 1.3679 -0.6408 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0767 0.1929 -2.2421 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6663 0.0050 1.9432 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3187 0.1216 2.5288 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6776 1.4983 1.5875 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8179 -1.1489 0.7497 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8837 0.4202 -0.0806 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7172 -1.5335 -1.2991 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5642 -1.6193 0.0207 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6921 -0.4753 -2.0337 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8394 0.8568 -1.8057 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7219 1.4545 -1.0814 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7710 1.4264 0.3225 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8250 -0.9554 0.9225 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5272 -1.0937 0.7292 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8467 1.2880 -1.3334 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6572 0.0109 -1.4260 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8386 2.0366 0.8967 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1124 2.4655 -1.4259 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0687 -0.1190 1.7243 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2847 1.0792 1.6255 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4344 -1.0861 -0.3956 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8276 -1.2573 0.8782 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8612 0.7121 -1.5747 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2162 0.3997 -1.4344 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6162 -1.3222 1.1064 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7755 -1.7388 -0.1523 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7191 0.8796 1.5523 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0553 0.6593 1.6985 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6429 -1.9951 0.0529 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8479 -1.7057 1.3059 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7327 -0.1397 -1.3209 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7041 -1.6094 -0.9372 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7819 -0.3332 0.9515 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7202 1.0989 0.4887 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3124 -0.3387 -2.5967 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 1 0 9 11 1 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 3 30 1 0 4 31 1 0 4 32 1 0 5 33 1 0 5 34 1 0 6 35 1 0 7 36 1 0 8 37 1 0 8 38 1 0 9 39 1 1 10 40 1 0 11 41 1 0 11 42 1 0 12 43 1 0 12 44 1 0 13 45 1 0 14 46 1 0 15 47 1 0 15 48 1 0 16 49 1 0 17 50 1 0 18 51 1 0 18 52 1 0 19 53 1 0 19 54 1 0 20 55 1 0 20 56 1 0 23 57 1 0 M END