HMDB0036774 RDKit 3D Sebiferic acid 80 83 0 0 0 0 0 0 0 0999 V2000 5.5882 -3.0624 -0.5787 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3977 -1.8267 -0.1675 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4485 -0.8153 -0.3668 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1332 -1.4634 0.4896 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3623 -0.8738 1.8561 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0402 -0.1691 2.0894 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7166 0.4972 0.7638 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5623 1.7892 0.8239 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3579 -0.3941 -0.2135 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3998 -1.0679 -1.1648 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6077 0.0452 -1.7780 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7542 0.8246 -0.7944 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8957 2.2990 -1.2726 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2692 0.7937 0.5880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3895 0.0816 1.5718 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0228 0.6091 1.4691 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5285 0.9402 0.1249 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0259 0.5663 0.1017 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6777 1.1452 -1.1750 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6108 1.3263 1.2130 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0172 1.3726 1.5783 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9789 1.9926 0.6295 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6914 3.0798 0.0876 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2011 1.3530 0.3499 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2151 -0.8996 -0.0186 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1110 -1.8044 1.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3384 -2.8835 1.1175 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9077 -1.6875 2.3960 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3798 -1.4020 -1.2075 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9640 -0.9883 -1.2005 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7137 0.4953 -1.0076 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9848 1.1000 -2.3599 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5087 -3.3364 -1.0592 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8413 -3.8552 -0.4579 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1388 -1.0830 -1.2097 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0950 0.2099 -0.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0963 -0.8372 0.5559 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4799 -2.3658 0.6453 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5292 -1.6634 2.6173 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2261 -0.2161 1.8782 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1195 0.5924 2.8986 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3442 -0.9339 2.4058 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8598 2.1043 -0.1871 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9852 2.5316 1.3885 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5021 1.6237 1.3913 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0964 0.1553 -0.8692 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0306 -1.4862 -1.9828 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8552 -1.8792 -0.7108 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4117 0.7263 -2.2135 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0643 -0.2692 -2.6881 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4269 2.9054 -0.4736 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0766 2.7991 -1.3402 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5561 2.4037 -2.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1873 1.8671 0.9939 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4825 -1.0095 1.6048 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7521 0.3846 2.6041 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0622 1.5549 2.1061 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5962 -0.1273 2.0596 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5798 2.0809 0.0426 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6025 2.2199 -1.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7846 0.9080 -1.1406 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3991 0.5926 -2.0819 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0049 1.2779 2.1652 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3920 2.4393 0.9213 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4843 0.5106 2.0959 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0772 2.1477 2.4519 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0367 1.9324 0.5063 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2794 -1.0601 -0.4012 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3093 -3.5355 2.0346 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7077 -3.2665 0.3552 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9775 -1.7672 2.0844 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7711 -2.5668 3.0647 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7008 -0.7915 2.9598 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9168 -1.2266 -2.1709 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4339 -2.5083 -1.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5358 -1.3501 -2.1695 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4519 -1.5942 -0.4384 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5791 1.9942 -2.4065 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3588 0.3731 -3.1242 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0254 1.4211 -2.8974 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 7 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 12 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 18 25 1 0 25 26 1 0 26 27 2 3 26 28 1 0 25 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 9 4 1 0 31 12 1 0 14 7 1 0 31 17 1 0 1 33 1 0 1 34 1 0 3 35 1 0 3 36 1 0 3 37 1 0 4 38 1 0 5 39 1 0 5 40 1 0 6 41 1 0 6 42 1 0 8 43 1 0 8 44 1 0 8 45 1 0 9 46 1 0 10 47 1 0 10 48 1 0 11 49 1 0 11 50 1 0 13 51 1 0 13 52 1 0 13 53 1 0 14 54 1 0 15 55 1 0 15 56 1 0 16 57 1 0 16 58 1 0 17 59 1 0 19 60 1 0 19 61 1 0 19 62 1 0 20 63 1 0 20 64 1 0 21 65 1 0 21 66 1 0 24 67 1 0 25 68 1 0 27 69 1 0 27 70 1 0 28 71 1 0 28 72 1 0 28 73 1 0 29 74 1 0 29 75 1 0 30 76 1 0 30 77 1 0 32 78 1 0 32 79 1 0 32 80 1 0 M END