HMDB0037571 RDKit 3D Demethylnobiletin 48 50 0 0 0 0 0 0 0 0999 V2000 7.0347 -1.6015 -1.4352 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2044 -0.5186 -1.1092 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8496 -0.7275 -0.9116 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3061 -1.9901 -1.0317 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9505 -2.1128 -0.8193 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1249 -1.0705 -0.5010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6845 -1.2101 -0.2769 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0677 -2.4248 -0.3764 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3103 -2.5832 -0.1662 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8461 -3.6929 -0.2618 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0416 -1.4763 0.1468 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4163 -1.5086 0.3778 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1138 -2.6507 0.3044 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0626 -0.2939 0.6944 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4197 -0.3572 0.9171 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2989 -0.1864 -0.1691 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4196 0.9030 0.7864 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1109 2.0851 1.1053 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6843 2.9247 0.1516 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0687 0.8965 0.5530 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3918 2.1154 0.6428 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8683 2.4796 1.8924 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3746 -0.2647 0.2371 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0635 -0.1766 0.0266 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7246 0.1822 -0.3923 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0579 0.3656 -0.5905 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6662 1.6194 -0.4831 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8799 2.7514 -0.1564 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1081 -1.2898 -1.4299 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7834 -2.0219 -2.4311 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9632 -2.4032 -0.6618 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9379 -2.8394 -1.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5414 -3.0990 -0.9158 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6042 -3.3303 -0.6219 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8810 -3.5544 0.1115 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7514 0.0812 -1.0851 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0080 0.6301 0.1239 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8578 -1.1285 -0.4041 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4579 3.9828 0.4622 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7885 2.8551 0.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2185 2.7874 -0.8341 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4161 1.9529 2.7051 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0061 3.5914 1.9997 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1975 2.2005 1.9035 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0799 1.0079 -0.1418 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5241 3.6424 -0.4048 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9780 2.7182 -0.8014 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6075 2.7398 0.9276 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 2 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 1 0 15 16 1 0 14 17 2 0 17 18 1 0 18 19 1 0 17 20 1 0 20 21 1 0 21 22 1 0 20 23 2 0 23 24 1 0 6 25 1 0 25 26 2 0 26 27 1 0 27 28 1 0 26 3 1 0 24 7 1 0 23 11 1 0 1 29 1 0 1 30 1 0 1 31 1 0 4 32 1 0 5 33 1 0 8 34 1 0 13 35 1 0 16 36 1 0 16 37 1 0 16 38 1 0 19 39 1 0 19 40 1 0 19 41 1 0 22 42 1 0 22 43 1 0 22 44 1 0 25 45 1 0 28 46 1 0 28 47 1 0 28 48 1 0 M END