HMDB0260309 RDKit 3D Ethyl 4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-(1H-1,2,4-triazol-1-ylmethyl)-3... 61 64 0 0 0 0 0 0 0 0999 V2000 2.3379 4.3954 -1.2739 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8815 3.8852 0.0983 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8730 2.9294 -0.1671 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1819 2.2171 0.7761 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5115 2.4711 1.9921 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8433 1.2357 0.5471 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1532 1.5242 0.5166 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7269 2.8550 0.7248 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6789 3.6484 -0.4732 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7897 4.5392 -0.8982 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1256 5.0364 -2.1140 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2693 4.4316 -2.4577 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5889 3.5993 -1.4591 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0860 0.5309 0.2814 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6973 -0.7311 0.0812 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6887 -1.6918 -0.1524 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2880 -2.9937 -0.3594 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2520 -3.9593 -0.5919 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6263 -3.6350 -0.6197 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9431 -3.3705 -0.3422 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5899 -4.6962 -0.5566 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2191 -5.0470 -0.5330 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9994 -2.3917 -0.1082 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3637 -1.0791 0.1029 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4482 -0.0761 0.3387 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9492 -0.3962 0.3696 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7173 -0.1612 -0.7715 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0670 -0.4456 -0.8167 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7032 -0.9746 0.2722 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0467 -1.2672 0.2534 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8951 -1.0679 -0.8372 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9661 -1.2181 1.4183 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5897 -1.7509 2.5259 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8415 -1.9998 3.6941 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6227 -0.9285 1.4448 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0782 3.6715 -1.6481 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8494 5.3748 -1.1916 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4805 4.4220 -1.9684 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7327 3.4420 0.6571 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5266 4.7604 0.6528 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1721 3.4297 1.5195 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8056 2.7717 1.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8970 4.8591 -0.3349 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8363 4.5952 -3.3941 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7309 -1.4257 -0.1703 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0225 -3.3863 0.4010 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8642 -2.7835 -1.2704 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1510 -4.5186 -1.0507 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1638 -5.2311 0.4919 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1519 -6.0242 -1.0826 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3708 -4.3373 -1.1198 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0510 -2.6157 -0.0822 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2810 0.2596 -1.6808 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6409 -0.2526 -1.7175 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8867 -1.9404 -1.5505 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9424 -1.0554 -0.4347 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7545 -0.1206 -1.3696 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5026 -2.5888 4.3893 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5825 -1.0237 4.1827 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9364 -2.5812 3.4645 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0452 -1.1185 2.3397 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 2 0 4 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 7 14 1 0 14 15 2 0 15 16 1 0 16 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 24 25 2 0 25 26 1 0 26 27 2 0 27 28 1 0 28 29 2 0 29 30 1 0 30 31 1 0 29 32 1 0 32 33 1 0 33 34 1 0 32 35 2 0 25 6 1 0 35 26 1 0 13 9 1 0 24 15 1 0 1 36 1 0 1 37 1 0 1 38 1 0 2 39 1 0 2 40 1 0 8 41 1 0 8 42 1 0 10 43 1 0 12 44 1 0 16 45 1 0 19 46 1 0 19 47 1 0 19 48 1 0 22 49 1 0 22 50 1 0 22 51 1 0 23 52 1 0 27 53 1 0 28 54 1 0 31 55 1 0 31 56 1 0 31 57 1 0 34 58 1 0 34 59 1 0 34 60 1 0 35 61 1 0 M END