HMDB0249168 RDKit 3D Betulonic acid 79 83 0 0 0 0 0 0 0 0999 V2000 5.1984 -2.0959 -0.5061 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4358 -1.5010 0.3701 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6829 -2.3510 1.3246 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3408 -0.0673 0.4295 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2640 0.7390 -0.4491 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5073 2.0572 -0.7316 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1208 1.4732 -1.0198 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1611 0.8771 -2.3162 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4485 1.4133 -3.2457 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8573 -0.2210 -2.7820 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0364 2.4983 -0.9122 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6913 1.9792 -0.5379 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6982 1.0616 0.6622 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1066 1.9817 1.8258 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7640 -0.0355 0.4711 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2723 -0.8342 -0.7045 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0112 -1.5934 -0.4020 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9510 -0.8926 0.4831 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3299 -1.0421 -0.1833 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6751 -2.5446 -0.1066 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3230 -0.7001 -1.6325 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5877 0.0462 -2.0793 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7209 -0.5861 -1.3819 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6323 -1.1584 -1.9566 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7547 -0.5233 0.1008 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4744 -1.7300 0.7008 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6411 0.6794 0.4547 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3692 -0.3632 0.6379 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0887 1.0767 0.9303 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6888 1.4891 0.5289 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6484 0.4515 0.9711 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7863 0.4382 2.5007 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0434 0.6161 0.2136 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2697 -3.2167 -0.5224 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7952 -1.6041 -1.2464 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2435 -3.2911 1.5772 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7171 -2.7286 0.9359 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5721 -1.8573 2.3358 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7466 0.1622 1.4978 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2105 1.0575 0.0806 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5935 0.2802 -1.3679 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9385 2.5615 -1.6001 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5019 2.6492 0.1857 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5525 -0.0998 -3.5068 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4021 3.3566 -0.3158 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9187 2.9251 -1.9566 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1179 1.5905 -1.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0954 2.8865 -0.2133 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5809 2.9233 1.4836 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7821 1.5154 2.5354 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1731 2.3852 2.3203 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8002 -0.5969 1.4122 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0679 -1.5426 -1.0354 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0565 -0.1955 -1.5529 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3587 -2.5981 -0.0168 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4356 -1.8681 -1.4019 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0710 -1.6022 1.3705 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6922 -3.0857 -0.2011 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1010 -2.8176 0.8564 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2557 -2.8363 -0.9915 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3246 -1.6212 -2.2947 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4010 -0.1675 -1.9798 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5199 1.1236 -1.9485 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7534 -0.1254 -3.1786 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5724 -1.5234 0.7894 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3906 -2.6273 0.0752 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1214 -1.8738 1.7453 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6965 0.3492 0.5722 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3510 1.0979 1.4454 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6470 1.4336 -0.3518 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3810 -0.8986 1.6362 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3068 1.3258 2.0021 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7659 1.7664 0.3545 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6863 1.7060 -0.5297 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5236 2.4531 1.0624 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4179 1.2496 2.8828 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1687 0.4039 3.0223 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3161 -0.4994 2.7685 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0991 1.4368 1.0124 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 1 0 23 24 2 0 23 25 1 0 25 26 1 0 25 27 1 0 25 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 15 33 1 0 33 4 1 0 33 7 1 0 31 13 1 0 31 18 1 0 28 19 1 0 1 34 1 0 1 35 1 0 3 36 1 0 3 37 1 0 3 38 1 0 4 39 1 0 5 40 1 0 5 41 1 0 6 42 1 0 6 43 1 0 10 44 1 0 11 45 1 0 11 46 1 0 12 47 1 0 12 48 1 0 14 49 1 0 14 50 1 0 14 51 1 0 15 52 1 0 16 53 1 0 16 54 1 0 17 55 1 0 17 56 1 0 18 57 1 0 20 58 1 0 20 59 1 0 20 60 1 0 21 61 1 0 21 62 1 0 22 63 1 0 22 64 1 0 26 65 1 0 26 66 1 0 26 67 1 0 27 68 1 0 27 69 1 0 27 70 1 0 28 71 1 0 29 72 1 0 29 73 1 0 30 74 1 0 30 75 1 0 32 76 1 0 32 77 1 0 32 78 1 0 33 79 1 0 M END