HMDB0036591 RDKit 3D Cycloartenol 81 85 0 0 0 0 0 0 0 0999 V2000 7.7386 -1.9046 0.3924 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6036 -0.4481 0.6740 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7848 0.4050 0.5121 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4429 0.0879 1.0658 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3015 -0.7930 1.2126 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1318 -0.6287 0.2991 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4001 0.6235 0.2696 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2749 1.7759 -0.1735 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1169 0.7437 -0.4160 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1412 0.4409 -1.9031 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6602 0.6153 -2.2575 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1082 0.7040 -0.9883 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5462 2.0628 -0.6019 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4064 -0.1184 -1.0185 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.3646 0.6508 -1.9425 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7372 -0.0391 -1.8191 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2076 0.3876 -0.4427 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.6538 0.1685 -0.2087 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4004 -0.1528 -1.4789 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3068 1.4273 0.3752 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8822 -0.9312 0.8018 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.5790 -2.1761 0.2814 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2176 -0.6413 2.1104 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8854 0.0774 1.9465 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3677 -0.3062 0.5602 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.8154 -1.6366 0.4281 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9151 -0.3585 0.3267 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.0752 -0.0303 1.4958 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3113 0.4359 1.3283 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8894 0.0784 0.0011 C 0 0 2 0 0 0 0 0 0 0 0 0 0.9208 -1.4230 -0.0892 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9941 -2.2482 -0.3709 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5585 -2.5308 1.2937 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7517 -2.1579 0.0231 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5237 1.4656 0.2693 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4156 -0.0118 -0.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3421 0.4336 1.4753 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4112 1.1379 1.2808 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8541 -0.7281 2.2673 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6076 -1.8899 1.1843 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5726 -0.8581 -0.7358 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5275 -1.5494 0.4737 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2093 0.8657 1.3738 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1764 1.3393 -0.6550 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7468 2.3914 -0.9600 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6091 2.4178 0.6550 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8990 1.8591 -0.4625 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6886 1.2192 -2.4722 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5383 -0.5249 -2.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4950 1.4982 -2.9037 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3180 -0.3005 -2.8212 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1299 2.7054 -0.0396 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4744 2.0300 0.0447 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7520 2.6332 -1.5564 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2827 -1.0534 -1.6202 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9997 0.5917 -2.9788 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5386 1.6741 -1.6459 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4236 0.3396 -2.5989 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6613 -1.1206 -1.9418 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0024 1.4882 -0.3676 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9732 -0.9883 -2.0449 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4652 -0.2753 -1.2150 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3567 0.7799 -2.1115 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1916 1.7345 -0.1840 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4862 1.3263 1.4540 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5617 2.2663 0.2673 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9939 -0.9350 1.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2009 -2.3172 -0.4908 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8605 -0.0900 2.8230 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0267 -1.6406 2.6012 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0364 1.1825 2.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2332 -0.2832 2.7514 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6278 -2.2277 1.3726 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8920 -2.2754 -0.4469 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1213 -0.9149 2.2017 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6188 0.7705 2.0867 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4428 1.5279 1.5885 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9569 -0.0773 2.1033 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0408 -1.9094 -0.2901 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2092 -1.8649 0.9151 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5942 -1.8033 -0.8973 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 2 3 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 1 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 18 21 1 0 21 22 1 0 21 23 1 0 23 24 1 0 25 24 1 1 25 26 1 0 27 26 1 6 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 6 30 9 1 0 30 12 1 0 27 14 1 0 25 17 1 0 27 25 1 0 1 32 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 7 43 1 1 8 44 1 0 8 45 1 0 8 46 1 0 9 47 1 6 10 48 1 0 10 49 1 0 11 50 1 0 11 51 1 0 13 52 1 0 13 53 1 0 13 54 1 0 14 55 1 6 15 56 1 0 15 57 1 0 16 58 1 0 16 59 1 0 17 60 1 6 19 61 1 0 19 62 1 0 19 63 1 0 20 64 1 0 20 65 1 0 20 66 1 0 21 67 1 1 22 68 1 0 23 69 1 0 23 70 1 0 24 71 1 0 24 72 1 0 26 73 1 0 26 74 1 0 28 75 1 0 28 76 1 0 29 77 1 0 29 78 1 0 31 79 1 0 31 80 1 0 31 81 1 0 M END