HMDB0000933 RDKit 3D Traumatic acid 36 35 0 0 0 0 0 0 0 0999 V2000 -6.7305 0.2045 -2.0333 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2542 -0.0001 -0.8926 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1196 -0.4033 0.1104 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8158 0.1933 -0.6682 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2644 -0.0077 0.5098 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7871 0.1898 0.7445 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0860 0.6214 -0.4953 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6189 0.8126 -0.1761 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0679 -0.4078 0.3147 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5242 -0.1586 0.6224 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3209 0.2905 -0.5463 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7786 0.5409 -0.2521 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4369 -0.7057 0.2383 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8942 -0.4580 0.5172 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3418 0.6875 0.3159 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6328 -1.5315 0.9801 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0877 0.1069 0.9883 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1804 0.5059 -1.4673 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8993 -0.3236 1.3261 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5832 0.8940 1.5527 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4047 -0.8137 1.0853 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2350 -0.0643 -1.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4740 1.6328 -0.7771 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1129 1.2636 -1.0475 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5964 1.5654 0.6664 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0467 -1.1631 -0.5011 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4093 -0.8666 1.2038 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5421 0.5806 1.4709 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9842 -1.1047 1.0314 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8567 1.2242 -0.9862 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2541 -0.4885 -1.3583 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2798 0.8361 -1.1977 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8524 1.3808 0.4755 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9642 -1.0925 1.1777 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4015 -1.4533 -0.5822 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4799 -2.4881 0.6448 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 2 4 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 2 0 14 16 1 0 3 17 1 0 4 18 1 0 5 19 1 0 6 20 1 0 6 21 1 0 7 22 1 0 7 23 1 0 8 24 1 0 8 25 1 0 9 26 1 0 9 27 1 0 10 28 1 0 10 29 1 0 11 30 1 0 11 31 1 0 12 32 1 0 12 33 1 0 13 34 1 0 13 35 1 0 16 36 1 0 M END