HMDB0244510 RDKit 3D 13-Hydroxyoctadeca-9,12-dienoic acid 53 52 0 0 0 0 0 0 0 0999 V2000 -6.8830 0.0216 0.2854 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7471 -0.1484 -1.1937 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0011 0.8497 -1.9395 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5660 1.0425 -1.9063 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7199 1.1963 -0.7205 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3908 -0.0476 -0.0168 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1881 -0.9914 0.5359 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0499 -0.2807 0.0896 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6123 -1.5111 0.7835 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7800 -1.0971 1.9309 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4649 -1.4472 2.0788 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2025 -2.2913 1.1363 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3942 -1.4764 0.5969 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3118 -1.0678 1.6986 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4923 -0.3197 1.1377 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0515 0.9136 0.4303 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2885 1.6589 -0.0958 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0762 0.8213 -1.0481 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2711 1.5330 -1.5695 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4722 2.7072 -1.1691 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1590 0.9886 -2.4539 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2142 0.7655 0.7414 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8639 -0.9322 0.8476 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9409 0.4012 0.4603 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2038 -1.1460 -1.3230 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7715 -0.3616 -1.6333 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5461 1.8915 -1.8468 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2471 0.6106 -3.0664 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0790 0.2025 -2.5831 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2733 1.9362 -2.6107 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7370 1.7085 -0.9863 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1638 1.9488 0.0147 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4409 -1.1258 1.4862 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3228 0.3800 -0.3021 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5656 -1.9923 1.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1693 -2.2414 0.1109 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2076 -0.4520 2.7302 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0524 -1.1210 2.9700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6503 -2.7231 0.3052 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6585 -3.1938 1.6653 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8622 -2.1147 -0.1593 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0007 -0.5862 0.0578 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6446 -1.9642 2.2839 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7964 -0.3995 2.4523 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2372 -0.1238 1.9379 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9340 -1.0148 0.3630 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5376 1.5653 1.1686 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3411 0.7471 -0.3879 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8427 1.9728 0.7909 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8932 2.5345 -0.6623 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4777 0.4325 -1.8842 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4931 -0.0829 -0.5147 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0787 0.6394 -2.2190 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 1 0 6 8 2 3 8 9 1 0 9 10 1 0 10 11 2 3 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 2 0 19 21 1 0 1 22 1 0 1 23 1 0 1 24 1 0 2 25 1 0 2 26 1 0 3 27 1 0 3 28 1 0 4 29 1 0 4 30 1 0 5 31 1 0 5 32 1 0 7 33 1 0 8 34 1 0 9 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 13 42 1 0 14 43 1 0 14 44 1 0 15 45 1 0 15 46 1 0 16 47 1 0 16 48 1 0 17 49 1 0 17 50 1 0 18 51 1 0 18 52 1 0 21 53 1 0 M END