HMDB0036757 RDKit 3D Bryonolic acid 81 85 0 0 0 0 0 0 0 0999 V2000 -4.9675 2.0805 -0.6293 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7957 1.0972 0.5078 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2936 1.6968 1.7911 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7656 2.8510 1.8155 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2422 0.9860 2.9789 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5136 -0.1940 0.2584 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6352 -1.3158 0.7008 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3945 -1.4670 -0.1966 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9303 -2.1768 -1.4483 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4650 -2.3699 0.5367 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1731 -1.7200 0.9369 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5181 -0.9632 -0.1961 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0408 -2.0456 -1.1829 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7399 -0.3798 0.3334 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2867 0.6803 -0.2486 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4405 1.5445 -1.1002 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9729 1.4137 -0.5114 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4356 0.0060 -0.8534 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3413 -0.0779 -2.3859 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8858 -0.1079 -0.4935 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2913 0.8198 0.6430 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7258 1.0477 -0.0814 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7429 2.1961 0.9067 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2787 1.4604 -1.4023 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7444 1.3452 -1.5396 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5021 0.9290 -0.3427 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7495 0.4217 -0.7850 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8750 -0.1527 0.4764 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3907 -1.5102 -0.0255 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4460 -0.0259 1.8909 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4008 -0.1975 0.4500 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7501 -0.4800 1.7971 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3682 -1.0255 1.5312 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6828 2.8773 -0.3156 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3199 1.5742 -1.5619 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0263 2.5908 -0.9034 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6477 1.2778 3.7562 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7454 -0.3488 -0.8141 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4468 -0.2379 0.8186 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2994 -1.2544 1.7507 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2203 -2.2684 0.6335 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6277 -2.9703 -1.0472 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5512 -1.5116 -2.0505 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1574 -2.7282 -1.9865 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8997 -2.8235 1.4519 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1993 -3.2478 -0.1195 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2393 -1.0613 1.8167 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4793 -2.5443 1.2145 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8032 -2.3352 -1.8993 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2871 -2.9287 -0.5623 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8857 -1.6905 -1.6765 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5074 1.1959 -2.1275 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7759 2.6128 -1.0505 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5617 2.1962 -0.9846 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8182 1.5360 0.5861 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4074 -0.5193 -2.7294 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1730 -0.6983 -2.7979 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5167 0.9448 -2.8182 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4949 0.2720 -1.3704 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1272 0.4025 1.6367 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8275 1.8237 0.5619 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9302 2.1016 1.6732 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7202 2.4268 1.3214 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4390 3.1034 0.3056 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7803 0.8441 -2.1952 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9072 2.5086 -1.6001 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1408 2.3524 -1.8646 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0207 0.6633 -2.3861 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7951 1.8168 0.2924 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5688 -0.0245 -1.6496 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8720 -2.3354 0.5049 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0890 -1.5800 -1.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4876 -1.5698 0.0441 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4967 -1.0221 2.3807 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9376 0.7273 2.4908 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5025 0.2965 1.7638 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0336 -1.0311 -0.2209 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3214 -1.2644 2.3309 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7530 0.4074 2.4525 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7393 -0.8099 2.3974 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5023 -2.1129 1.3161 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 3 5 1 0 2 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 8 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 12 14 1 0 14 15 2 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 15 22 1 0 22 23 1 0 22 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 26 28 1 0 28 29 1 0 28 30 1 0 28 31 1 0 31 32 1 0 32 33 1 0 21 2 1 0 31 22 1 0 20 8 1 0 18 12 1 0 33 14 1 0 1 34 1 0 1 35 1 0 1 36 1 0 5 37 1 0 6 38 1 0 6 39 1 0 7 40 1 0 7 41 1 0 9 42 1 0 9 43 1 0 9 44 1 0 10 45 1 0 10 46 1 0 11 47 1 0 11 48 1 0 13 49 1 0 13 50 1 0 13 51 1 0 16 52 1 0 16 53 1 0 17 54 1 0 17 55 1 0 19 56 1 0 19 57 1 0 19 58 1 0 20 59 1 0 21 60 1 0 21 61 1 0 23 62 1 0 23 63 1 0 23 64 1 0 24 65 1 0 24 66 1 0 25 67 1 0 25 68 1 0 26 69 1 0 27 70 1 0 29 71 1 0 29 72 1 0 29 73 1 0 30 74 1 0 30 75 1 0 30 76 1 0 31 77 1 0 32 78 1 0 32 79 1 0 33 80 1 0 33 81 1 0 M END