HMDB0041743 RDKit 3D Hesperetin 3'-O-glucuronide 56 59 0 0 0 0 0 0 0 0999 V2000 1.8164 -2.3660 2.9420 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9009 -1.5419 1.8000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7342 -1.0644 1.2405 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4824 -1.4108 1.8197 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6616 -0.9476 1.2808 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6035 -0.1405 0.1645 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8807 0.3666 -0.4265 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5265 -0.7470 -1.2202 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9251 -0.9714 -0.8316 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4409 -2.0904 -1.0421 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7518 0.0607 -0.2036 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1052 0.1161 -0.3609 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7925 -0.7844 -1.1182 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.7873 1.1408 0.2851 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0831 2.0425 1.0435 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7859 3.0665 1.6859 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7057 1.9903 1.2061 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0529 0.9786 0.5656 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6813 0.8191 0.6502 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3917 0.1943 -0.3984 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8217 -0.2677 0.1359 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9455 0.0895 -0.4505 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2895 -0.0713 -0.3418 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8374 1.2171 -0.1926 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2072 1.1724 0.0135 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6509 2.5583 0.3138 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8489 3.5385 0.3523 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9944 2.8692 0.5751 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8277 0.7077 -1.3078 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1925 0.8591 -1.3267 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4029 -0.7434 -1.4730 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9072 -1.3005 -2.6385 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9041 -0.7617 -1.5539 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4964 -2.1007 -1.5096 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1420 -3.2344 2.7026 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2578 -1.8007 3.7399 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7931 -2.6996 3.3087 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5229 -2.0500 2.7034 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6369 -1.1964 1.7054 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6363 1.2183 -1.0855 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9788 -1.7046 -1.0405 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4748 -0.5387 -2.3110 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4689 -1.5441 -1.6397 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8492 1.2431 0.2049 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1330 2.9015 2.6220 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1959 2.7283 1.8169 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3743 0.8254 -1.2690 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5614 -0.7120 0.5172 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5217 0.4795 0.8016 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6604 2.1772 0.8528 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3342 1.2884 -2.1269 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5013 1.6984 -1.7582 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7733 -1.3236 -0.5879 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1919 -1.6845 -3.2096 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5987 -0.2923 -2.5001 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8150 -2.2569 -0.8058 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 5 6 2 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 2 0 9 11 1 0 11 12 2 0 12 13 1 0 12 14 1 0 14 15 2 0 15 16 1 0 15 17 1 0 17 18 2 0 18 19 1 0 6 20 1 0 20 21 2 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 2 0 26 28 1 0 25 29 1 0 29 30 1 0 29 31 1 0 31 32 1 0 31 33 1 0 33 34 1 0 21 3 1 0 33 23 1 0 19 7 1 0 18 11 1 0 1 35 1 0 1 36 1 0 1 37 1 0 4 38 1 0 5 39 1 0 7 40 1 0 8 41 1 0 8 42 1 0 13 43 1 0 14 44 1 0 16 45 1 0 17 46 1 0 20 47 1 0 23 48 1 1 25 49 1 1 28 50 1 0 29 51 1 6 30 52 1 0 31 53 1 1 32 54 1 0 33 55 1 6 34 56 1 0 M END