HMDB0037080 RDKit 3D 3-Methylellagic acid 8-(2-acetylrhamnoside) 56 60 0 0 0 0 0 0 0 0999 V2000 6.2396 -3.8882 0.1005 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2833 -2.4898 0.3004 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1380 -1.8407 0.7361 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9402 -1.7129 2.0915 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8417 -2.2087 3.0187 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7696 -1.0510 2.4835 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8650 -0.5544 1.5722 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6977 0.1016 1.9112 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4807 0.2395 3.1402 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8462 0.5645 1.0178 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0226 0.4492 -0.2782 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1113 0.9450 -1.2169 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0139 1.5770 -0.7715 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1843 0.8308 -0.4790 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0813 0.9808 -1.5006 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3090 1.4870 -1.2048 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9134 1.9849 -2.5199 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0715 2.7265 -0.3331 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9589 3.3866 -0.8514 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7056 2.1876 1.0196 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8736 1.6988 1.6502 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6956 1.0706 0.8994 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1716 -0.1379 1.4425 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5689 -0.6499 2.5729 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9949 -1.9082 3.2048 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5983 -0.0270 3.1115 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3288 0.8069 -2.5747 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5297 1.2759 -3.5501 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4997 0.1481 -2.9671 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3956 -0.3398 -2.0393 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5621 -0.9976 -2.3934 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7774 -1.1340 -3.6189 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4070 -1.4591 -1.4917 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2344 -1.3451 -0.1946 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0877 -0.6965 0.2123 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1701 -0.1960 -0.6839 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0805 -4.1580 -0.9771 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2151 -4.2927 0.4706 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4258 -4.3397 0.7074 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7186 -2.1268 4.0117 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5750 -0.9297 3.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8679 -0.2595 -0.5311 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9779 0.8027 -0.6728 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9810 1.7231 -2.5009 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7737 3.0572 -2.6543 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3892 1.5016 -3.3957 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9705 3.3658 -0.2791 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4347 3.8736 -0.1886 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3603 3.0269 1.6509 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4057 2.4457 2.0216 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8266 1.4006 1.5283 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3911 -2.1581 4.1009 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0423 -1.7783 3.5530 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9368 -2.7667 2.5202 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3789 1.7613 -3.4415 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6934 0.0264 -4.0294 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 4 5 1 0 4 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 8 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 16 18 1 0 18 19 1 0 18 20 1 0 20 21 1 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 24 26 2 0 12 27 2 0 27 28 1 0 27 29 1 0 29 30 2 0 30 31 1 0 31 32 2 0 31 33 1 0 33 34 1 0 34 35 2 0 35 36 1 0 34 3 1 0 35 7 1 0 36 11 2 0 22 14 1 0 36 30 1 0 1 37 1 0 1 38 1 0 1 39 1 0 5 40 1 0 6 41 1 0 14 42 1 0 16 43 1 0 17 44 1 0 17 45 1 0 17 46 1 0 18 47 1 0 19 48 1 0 20 49 1 0 21 50 1 0 22 51 1 0 25 52 1 0 25 53 1 0 25 54 1 0 28 55 1 0 29 56 1 0 M END