HMDB0002265 RDKit 3D 14,15-DiHETrE 58 57 0 0 0 0 0 0 0 0999 V2000 -8.0481 1.2545 0.6187 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2654 -0.2115 0.5485 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1187 -1.0937 0.8593 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9158 -1.0262 0.0072 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1964 0.2730 -0.0819 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9591 0.1467 -0.9837 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4125 -0.2400 -2.2402 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9445 -0.8064 -0.4396 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5623 -0.3422 0.8226 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6577 -0.7401 -1.2826 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0791 0.6019 -1.2692 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1174 0.8383 -0.7982 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9865 -0.2200 -0.2384 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2062 -0.2535 -1.0719 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4182 -0.0519 -0.6065 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7079 0.2330 0.8141 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6167 -0.8748 1.2783 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8103 -0.6998 1.7496 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4253 0.6070 1.8910 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7011 0.7224 1.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4039 0.5086 -0.4131 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6973 0.6403 -1.1329 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1931 1.7681 -1.3881 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3794 -0.4973 -1.5358 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.9596 1.7064 1.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2165 1.5706 1.2732 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0675 1.7619 -0.3757 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6775 -0.4296 -0.4675 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1041 -0.4904 1.2396 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5126 -2.1582 0.7654 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8580 -1.0397 1.9662 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1501 -1.7717 0.3926 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1857 -1.4320 -1.0072 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8866 0.6771 0.8979 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8512 1.0526 -0.5552 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5479 1.2003 -1.0431 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8315 0.5165 -2.7239 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3196 -1.8308 -0.4440 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0817 -0.8391 1.4903 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9772 -1.5572 -1.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9735 -0.9050 -2.3783 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6268 1.4870 -1.6591 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5475 1.8520 -0.7934 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2325 0.1039 0.8127 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5285 -1.2034 -0.1106 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0585 -0.4639 -2.1538 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2321 -0.1049 -1.3364 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8489 0.2701 1.4846 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2194 1.2194 0.8864 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1935 -1.8836 1.1913 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3667 -1.5882 2.0505 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8021 1.4717 1.7513 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8307 0.6443 2.9681 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1078 1.7390 1.1855 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4025 -0.0429 1.4039 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7154 1.2793 -0.7908 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0111 -0.5296 -0.5791 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2263 -0.8181 -1.0386 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 1 0 8 9 1 0 8 10 1 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 1 25 1 0 1 26 1 0 1 27 1 0 2 28 1 0 2 29 1 0 3 30 1 0 3 31 1 0 4 32 1 0 4 33 1 0 5 34 1 0 5 35 1 0 6 36 1 0 7 37 1 0 8 38 1 0 9 39 1 0 10 40 1 0 10 41 1 0 11 42 1 0 12 43 1 0 13 44 1 0 13 45 1 0 14 46 1 0 15 47 1 0 16 48 1 0 16 49 1 0 17 50 1 0 18 51 1 0 19 52 1 0 19 53 1 0 20 54 1 0 20 55 1 0 21 56 1 0 21 57 1 0 24 58 1 0 M END