HMDB0032742 RDKit 3D Di-O-methylcrenatin 46 47 0 0 0 0 0 0 0 0999 V2000 -2.2541 -3.1945 1.1972 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3236 -2.2050 0.8061 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8161 -1.0133 0.3021 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1720 -0.7954 0.1842 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7108 0.3701 -0.3101 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1830 0.5656 -0.4211 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5336 0.0938 -1.7075 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8205 1.3715 -0.7072 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4635 1.1548 -0.5897 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5632 2.1321 -0.9766 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9432 3.3792 -1.5014 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9301 -0.0304 -0.0873 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4466 -0.1774 0.0019 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2074 0.2009 1.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1107 1.1463 0.7193 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3527 0.6514 0.4210 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1097 1.6093 -0.4744 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2728 2.8529 0.1544 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2681 -0.6623 -0.3253 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5672 -0.5176 -1.5187 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6516 -1.7255 0.5542 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7935 -2.4948 -0.2150 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8678 -1.0547 1.6692 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6810 -0.8033 2.7713 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9135 -2.8302 2.0326 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7395 -4.1323 1.4918 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9330 -3.4150 0.3577 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8532 -1.5861 0.4982 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6641 -0.0943 0.3111 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4689 1.6345 -0.3192 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7368 -0.8773 -1.6902 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2280 2.3022 -1.1014 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8254 3.3530 -2.1455 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0953 3.7352 -2.1547 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0649 4.1620 -0.6965 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5514 0.6046 1.9420 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9760 0.4938 1.3295 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6211 1.7149 -1.4683 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1324 1.2308 -0.6802 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8346 2.6645 0.9610 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3341 -0.9256 -0.5859 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8147 -1.2568 -2.1158 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4577 -2.3336 1.0144 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8193 -3.4635 0.0515 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1021 -1.7722 2.0076 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2634 -0.0623 3.2796 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 1 0 6 7 1 0 5 8 2 0 8 9 1 0 9 10 1 0 10 11 1 0 9 12 2 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 16 19 1 0 19 20 1 0 19 21 1 0 21 22 1 0 21 23 1 0 23 24 1 0 12 3 1 0 23 14 1 0 1 25 1 0 1 26 1 0 1 27 1 0 4 28 1 0 6 29 1 0 6 30 1 0 7 31 1 0 8 32 1 0 11 33 1 0 11 34 1 0 11 35 1 0 14 36 1 0 16 37 1 0 17 38 1 0 17 39 1 0 18 40 1 0 19 41 1 0 20 42 1 0 21 43 1 0 22 44 1 0 23 45 1 0 24 46 1 0 M END