HMDB0303665 RDKit 3D Glucoraphenin 47 47 0 0 0 0 0 0 0 0999 V2000 7.0655 2.9678 -0.3700 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4293 1.5145 -1.2121 S 0 0 0 0 0 4 0 0 0 0 0 0 7.0490 0.2326 -0.7091 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6707 1.4101 -1.0832 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1334 0.8689 -0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6637 0.7920 0.0841 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2579 -0.6787 0.2133 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7650 -0.6745 0.2949 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1750 -1.1479 1.3174 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8790 -1.6654 2.3534 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1561 -3.3533 2.3539 S 0 0 0 0 0 6 0 0 0 0 0 0 0.1039 -4.0716 3.1420 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5268 -3.5857 2.9234 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1523 -3.9578 0.7846 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1767 -0.0022 -1.0350 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.9416 -0.0825 -0.8390 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3592 0.7063 0.2265 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7189 0.9502 0.1805 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8819 2.4350 -0.0695 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1942 2.8398 -0.1420 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4647 0.1210 -0.8086 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8206 0.1372 -0.4473 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0334 -1.3183 -0.7412 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6368 -1.9973 0.3166 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5274 -1.4500 -0.6834 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1369 -2.1087 0.4826 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3023 3.7802 -0.3957 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2194 2.6982 0.6798 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0003 3.3141 -0.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0585 1.7972 -1.9054 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7297 0.4908 0.7976 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 1.3168 0.9807 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1650 1.1709 -0.8313 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6147 -1.2424 -0.6850 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6309 -1.1210 1.1539 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0448 -3.7452 0.4041 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4152 0.3307 -1.7869 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1313 0.7532 1.1935 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3707 3.0395 0.7057 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3941 2.7200 -1.0479 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2172 3.7082 -0.6452 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4307 0.5130 -1.8548 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8537 0.1460 0.5384 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4002 -1.8044 -1.6893 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1640 -2.8408 0.4914 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2014 -2.1435 -1.5145 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5913 -1.7629 1.2873 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 11 12 2 0 11 13 2 0 11 14 1 0 8 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 18 21 1 0 21 22 1 0 21 23 1 0 23 24 1 0 23 25 1 0 25 26 1 0 25 16 1 0 1 27 1 0 1 28 1 0 1 29 1 0 4 30 1 0 5 31 1 0 6 32 1 0 6 33 1 0 7 34 1 0 7 35 1 0 14 36 1 0 16 37 1 0 18 38 1 0 19 39 1 0 19 40 1 0 20 41 1 0 21 42 1 0 22 43 1 0 23 44 1 0 24 45 1 0 25 46 1 0 26 47 1 0 M END