HMDB0030668 RDKit 3D 1-(2,4,6-Trimethoxyphenyl)-1,3-butanedione 34 34 0 0 0 0 0 0 0 0999 V2000 -4.7393 -0.1958 -0.1612 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7311 -1.1054 0.2057 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4176 -0.6504 0.2146 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0994 0.6304 -0.1183 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7767 1.0163 -0.0886 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4342 2.3343 -0.4297 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4467 3.2376 -0.7952 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2163 0.1108 0.2759 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6089 0.5487 0.2983 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1347 1.0417 1.3338 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4354 0.4061 -0.9495 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8109 0.9102 -0.6891 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9608 0.0110 -0.3902 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0380 2.1080 -0.7144 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0786 -1.1971 0.6191 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9229 -2.0971 0.9829 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5222 -3.4129 1.3174 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4117 -1.5507 0.5791 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6284 0.0699 -1.2198 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6656 0.7594 0.4384 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7556 -0.5868 0.0738 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8806 1.3259 -0.3991 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1759 3.3745 0.0318 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9680 4.2174 -0.9761 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9385 2.8218 -1.7127 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9308 0.9861 -1.7568 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4053 -0.6480 -1.2309 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3083 0.2582 0.6545 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7953 0.1728 -1.1103 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6488 -1.0642 -0.4253 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0215 -3.8542 0.4321 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3534 -4.0610 1.6034 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2636 -3.3550 2.1242 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6589 -2.5623 0.8426 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 2 0 9 11 1 0 11 12 1 0 12 13 1 0 12 14 2 0 8 15 1 0 15 16 1 0 16 17 1 0 15 18 2 0 18 3 1 0 1 19 1 0 1 20 1 0 1 21 1 0 4 22 1 0 7 23 1 0 7 24 1 0 7 25 1 0 11 26 1 0 11 27 1 0 13 28 1 0 13 29 1 0 13 30 1 0 17 31 1 0 17 32 1 0 17 33 1 0 18 34 1 0 M END