HMDB0301704 RDKit 3D Ellagic acid arabinoside 45 49 0 0 0 0 0 0 0 0999 V2000 4.0437 2.6137 2.5780 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5138 1.8147 1.7366 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2128 1.6552 1.7264 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5870 0.8494 0.8899 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2182 0.7057 0.9065 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5242 1.4238 1.8235 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4667 -0.1447 0.0269 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7433 -0.2676 0.0552 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0312 -0.3541 0.1264 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.5897 -1.6093 0.4320 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7477 -1.4029 1.1697 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5613 -0.2273 0.7034 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.9140 -0.5434 0.8295 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2932 -0.0032 -0.7605 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.8429 -1.0911 -1.4516 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8262 0.1308 -1.0923 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.5615 1.5111 -1.2049 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3632 -0.8381 -0.8733 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7250 -0.6999 -0.8953 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5284 -1.3896 -1.7879 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9579 -2.1628 -2.5945 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8333 -1.2494 -1.8001 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4605 -0.4517 -0.9731 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8337 -0.2892 -0.9689 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6103 -0.9880 -1.8684 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4384 0.5679 -0.0712 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8129 0.7126 -0.0875 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6896 1.2811 0.8410 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3188 1.1317 0.8515 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7276 0.2740 -0.0487 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3559 0.1489 -0.0105 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5155 1.3724 1.8956 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4311 0.3256 0.9533 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4425 -1.1769 2.2338 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3655 -2.3241 1.2396 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4036 0.6918 1.2947 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0830 -0.7088 1.8044 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8735 0.8945 -1.0803 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1041 -1.6392 -1.7965 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5506 -0.4074 -2.0056 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8998 1.6938 -1.9280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1378 -1.4960 -1.5576 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2041 -1.6178 -2.5332 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2821 1.3330 0.5582 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1915 1.9512 1.5390 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 1 0 4 5 2 0 5 6 1 0 5 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 12 14 1 0 14 15 1 0 14 16 1 0 16 17 1 0 7 18 2 0 18 19 1 0 19 20 1 0 20 21 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 24 26 2 0 26 27 1 0 26 28 1 0 28 29 2 0 29 30 1 0 30 31 1 0 29 2 1 0 31 4 1 0 16 9 1 0 31 19 2 0 30 23 2 0 6 32 1 0 9 33 1 1 11 34 1 0 11 35 1 0 12 36 1 1 13 37 1 0 14 38 1 6 15 39 1 0 16 40 1 6 17 41 1 0 18 42 1 0 25 43 1 0 27 44 1 0 28 45 1 0 M END