HMDB0037420 RDKit 3D Maysin 3'-methyl ether 72 76 0 0 0 0 0 0 0 0999 V2000 9.0917 1.1722 2.9723 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4657 0.4900 1.8145 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5740 0.0804 0.8447 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2065 0.3473 0.9591 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3192 -0.0616 0.0081 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8833 0.1959 0.0358 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3366 1.1195 0.8886 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9527 1.3569 0.9015 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5124 2.2030 1.6974 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1101 0.6673 0.0586 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7483 0.8375 0.0297 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1142 1.7362 0.8405 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0746 0.0750 -0.8563 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5297 0.3998 -0.9167 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7505 0.7264 -2.2475 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8181 0.2887 -2.9137 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4186 0.3013 -4.4232 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1792 -1.1051 -2.6397 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8416 -1.7196 -3.4406 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7457 -1.7649 -1.4007 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9285 -2.4621 -0.8665 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3689 -0.7308 -0.4344 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6577 -0.1844 -0.0327 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8193 -0.0586 1.3014 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2228 1.2513 1.6077 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4998 1.5105 1.1154 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4288 2.1342 2.1165 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2015 0.3556 0.4907 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5641 0.7137 0.4130 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1690 -0.9234 1.2949 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2041 -1.0039 2.2034 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8206 -1.0224 1.9460 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9025 -0.5814 3.2878 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5561 -0.8200 -1.6740 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1573 -1.6045 -2.5926 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9279 -0.9544 -1.6075 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7478 -0.2490 -0.7705 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0509 -0.4367 -0.7491 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8312 -0.7477 -1.0721 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1736 -1.0418 -1.2454 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0478 -0.6201 -0.2720 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3981 -0.8930 -0.4059 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9749 1.6481 3.4781 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3257 1.9535 2.8397 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6547 0.3956 3.6700 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8296 0.8903 1.8247 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9840 1.6669 1.5577 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4214 2.3444 1.5054 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7028 1.2913 -0.2572 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6924 0.9847 -2.7947 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6248 1.0684 -4.5691 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3097 0.4551 -5.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9870 -0.6876 -4.6404 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0862 -2.6283 -1.5358 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5096 -2.8865 -0.0495 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9020 -1.0953 0.5391 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8753 -0.2714 1.8316 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3678 2.2894 0.3036 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1158 1.3610 2.5766 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1296 2.8861 1.6550 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9444 2.6295 2.9602 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8923 0.1955 -0.5584 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0962 -0.0683 0.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2777 -1.7545 0.5653 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9438 -1.6134 2.9367 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4121 -2.0176 1.9516 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1277 -0.0386 3.5395 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3476 -2.2267 -3.1814 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3841 -1.6889 -2.2901 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1287 -1.0793 -1.8537 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4568 -1.5853 -2.1359 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7446 -1.3951 -1.2056 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 2 0 7 8 1 0 8 9 2 0 8 10 1 0 10 11 2 0 11 12 1 0 11 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 16 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 26 28 1 0 28 29 1 0 28 30 1 0 30 31 1 0 30 32 1 0 32 33 1 0 13 34 2 0 34 35 1 0 34 36 1 0 36 37 2 0 37 38 1 0 5 39 2 0 39 40 1 0 40 41 2 0 41 42 1 0 41 3 1 0 38 6 1 0 37 10 1 0 22 14 1 0 32 24 1 0 1 43 1 0 1 44 1 0 1 45 1 0 4 46 1 0 7 47 1 0 12 48 1 0 14 49 1 0 16 50 1 0 17 51 1 0 17 52 1 0 17 53 1 0 20 54 1 0 21 55 1 0 22 56 1 0 24 57 1 0 26 58 1 0 27 59 1 0 27 60 1 0 27 61 1 0 28 62 1 0 29 63 1 0 30 64 1 0 31 65 1 0 32 66 1 0 33 67 1 0 35 68 1 0 36 69 1 0 39 70 1 0 40 71 1 0 42 72 1 0 M END