HMDB0036847 RDKit 3D Colubrinic acid 80 84 0 0 0 0 0 0 0 0999 V2000 -4.0047 2.3138 -1.3202 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3281 1.9473 -0.1286 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1910 2.8700 0.7159 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9354 0.7086 0.5219 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2494 -0.0836 0.6883 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7098 -1.3755 1.1885 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5785 -1.6223 0.1905 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1970 -2.3273 -0.9500 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1812 -1.8437 -2.1288 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8056 -3.5331 -0.7438 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5422 -2.4110 0.9087 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1918 -2.4465 0.2939 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7003 -1.1010 -0.1916 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7169 -1.1287 -1.6883 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6482 -0.0429 0.3192 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1933 1.3411 -0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2485 1.5765 0.4779 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0988 0.5247 -0.1767 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5313 0.8737 -0.2817 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8566 1.5158 -1.5884 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1431 1.7146 0.7860 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8604 3.1419 0.7594 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4349 3.9120 0.0175 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6358 1.4730 0.4715 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3999 1.7397 1.6036 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7440 0.0310 0.0208 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5537 -0.1888 -1.1951 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4659 -0.6979 1.1695 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3398 -0.3852 -0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8700 -1.4546 -0.8660 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5491 -1.9547 -0.2571 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7174 -0.8299 0.2955 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7049 -0.9864 1.8009 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0626 -0.2478 -0.2013 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4014 1.7130 -1.9668 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3583 3.2877 -1.7043 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1021 3.1383 0.1469 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6051 3.7638 1.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5296 2.3795 1.6462 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6043 0.8783 1.5809 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6751 -0.2421 -0.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9557 0.4143 1.3469 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4990 -2.1466 1.1067 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3497 -1.3575 2.2237 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6194 -4.0841 0.0638 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9022 -3.4754 0.9816 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5238 -2.0458 1.9710 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2282 -3.2000 -0.5476 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4901 -2.8915 1.0323 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2784 -1.1806 -2.1741 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2561 -0.2693 -2.1343 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2503 -2.0405 -2.0909 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7560 -0.0835 1.4279 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7904 2.0932 0.5380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2256 1.5171 -1.1027 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5180 2.5493 -0.0314 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3415 1.6935 1.5389 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7115 0.5716 -1.2466 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5375 2.5702 -1.6465 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8588 1.4337 -1.9661 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2091 0.9948 -2.3603 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9887 1.2401 1.7803 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1142 3.5634 1.4155 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9020 2.1148 -0.3792 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1766 2.2907 1.2880 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1053 0.7322 -1.5508 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4020 -0.9249 -1.0349 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9890 -0.6688 -2.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0903 -0.3100 2.1339 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5561 -0.6199 1.0629 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1738 -1.7592 1.0812 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0657 -0.6337 1.0663 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5424 -2.3347 -0.9488 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7064 -1.0935 -1.9012 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0096 -2.6264 -0.9561 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8982 -2.6561 0.5615 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3318 -1.8675 2.1431 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1008 -0.1202 2.3407 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2936 -1.2408 2.2137 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1097 -0.0895 -1.2841 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 8 9 2 0 8 10 1 0 7 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 13 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 19 21 1 0 21 22 1 0 22 23 2 0 21 24 1 0 24 25 1 0 24 26 1 0 26 27 1 0 26 28 1 0 26 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 15 34 1 0 34 4 1 0 34 7 1 0 32 13 1 0 32 18 1 0 29 19 1 0 1 35 1 0 1 36 1 0 3 37 1 0 3 38 1 0 3 39 1 0 4 40 1 0 5 41 1 0 5 42 1 0 6 43 1 0 6 44 1 0 10 45 1 0 11 46 1 0 11 47 1 0 12 48 1 0 12 49 1 0 14 50 1 0 14 51 1 0 14 52 1 0 15 53 1 0 16 54 1 0 16 55 1 0 17 56 1 0 17 57 1 0 18 58 1 0 20 59 1 0 20 60 1 0 20 61 1 0 21 62 1 0 22 63 1 0 24 64 1 0 25 65 1 0 27 66 1 0 27 67 1 0 27 68 1 0 28 69 1 0 28 70 1 0 28 71 1 0 29 72 1 0 30 73 1 0 30 74 1 0 31 75 1 0 31 76 1 0 33 77 1 0 33 78 1 0 33 79 1 0 34 80 1 0 M END