HMDB0033798 RDKit 3D 3-Methyl-1-(2,4,6-trihydroxyphenyl)-1-butanone 29 29 0 0 0 0 0 0 0 0999 V2000 -1.8963 1.1591 0.8673 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5491 -0.1540 0.5500 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8141 -0.0063 -0.2542 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5837 -0.9703 -0.2942 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3207 -1.2406 0.3557 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3517 -2.1199 1.2948 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9279 -0.5927 0.0114 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1120 0.3581 -0.9556 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0253 0.7747 -1.6971 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3667 0.9238 -1.2186 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4945 0.5607 -0.5230 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7398 1.1192 -0.7816 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3198 -0.3947 0.4518 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0941 -0.9535 0.7156 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9342 -1.9250 1.7112 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8612 0.9933 1.1754 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4385 1.7086 1.6840 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9176 1.7972 -0.0582 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7299 -0.6905 1.5170 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7269 -0.1006 0.3675 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7624 0.9845 -0.7876 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8746 -0.7888 -1.0599 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5863 -0.6085 -1.3162 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1118 -1.9957 -0.3747 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1201 1.4700 -2.4158 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4786 1.6766 -1.9946 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0059 1.9667 -0.2601 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1732 -0.7212 1.0351 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7327 -2.2303 2.2547 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 2 0 5 7 1 0 7 8 2 0 8 9 1 0 8 10 1 0 10 11 2 0 11 12 1 0 11 13 1 0 13 14 2 0 14 15 1 0 14 7 1 0 1 16 1 0 1 17 1 0 1 18 1 0 2 19 1 0 3 20 1 0 3 21 1 0 3 22 1 0 4 23 1 0 4 24 1 0 9 25 1 0 10 26 1 0 12 27 1 0 13 28 1 0 15 29 1 0 M END