HMDB0240524 RDKit 3D Hesperetin 5-sulfate 40 42 0 0 0 0 0 0 0 0999 V2000 6.5973 0.6675 0.7622 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8060 0.0272 -0.1812 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4315 0.1389 -0.2835 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7790 0.9510 0.6207 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3906 1.1257 0.5950 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6831 0.4557 -0.3711 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2278 0.5456 -0.5152 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.4777 1.1608 0.6677 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9211 1.2393 0.3257 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6624 2.2240 0.5426 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5150 0.0724 -0.3135 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6682 -0.9141 -0.8216 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2565 -2.0072 -1.4212 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6241 -2.1535 -1.5323 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1772 -3.2863 -2.1523 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4245 -1.1546 -1.0165 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8869 -0.0397 -0.4064 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6474 0.9866 0.1251 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1985 1.0321 1.7190 S 0 0 0 0 0 6 0 0 0 0 0 0 -6.6026 0.4673 1.7389 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3164 2.4771 2.1352 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2443 0.1467 2.7481 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2927 -0.7658 -0.7092 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3619 -0.3544 -1.2681 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7167 -0.5230 -1.2406 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4008 -1.3397 -2.1451 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5651 0.0897 0.8291 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8785 1.7064 0.5036 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1261 0.6984 1.7662 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2873 1.5043 1.4050 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9021 1.7560 1.3003 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0325 1.2009 -1.3980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3736 0.4426 1.5172 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0570 2.1508 0.9308 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6043 -2.7925 -1.8262 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3920 -4.1141 -1.5746 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4987 -1.2105 -1.0722 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4936 -0.2699 2.2530 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8154 -0.8982 -2.0473 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3978 -1.4435 -2.0994 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 13 14 2 0 14 15 1 0 14 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 19 20 2 0 19 21 2 0 19 22 1 0 12 23 1 0 6 24 1 0 24 25 2 0 25 26 1 0 25 3 1 0 23 7 1 0 17 11 1 0 1 27 1 0 1 28 1 0 1 29 1 0 4 30 1 0 5 31 1 0 7 32 1 6 8 33 1 0 8 34 1 0 13 35 1 0 15 36 1 0 16 37 1 0 22 38 1 0 24 39 1 0 26 40 1 0 M END