HMDB0246944 RDKit 3D 1-Propanone, 1-(3,4-dihydroxyphenyl)-2-methyl- 25 25 0 0 0 0 0 0 0 0999 V2000 -2.2648 0.2231 -1.2255 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0667 0.5774 0.2348 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3391 0.4353 1.0229 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9741 -0.2202 0.8213 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2679 -0.9831 1.7988 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3999 -0.1738 0.3390 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7530 0.6471 -0.7096 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0686 0.6947 -1.1779 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9934 -0.1001 -0.5611 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3314 -0.1105 -0.9701 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6805 -0.9420 0.4991 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6567 -1.7310 1.0931 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3617 -0.9426 0.9146 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2913 -0.2088 -1.3134 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5159 -0.4805 -1.6122 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2559 1.1348 -1.8533 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7973 1.6704 0.2837 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9069 -0.4772 0.7999 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0272 1.3068 0.8627 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0528 0.5009 2.1043 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0474 1.2887 -1.2181 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3461 1.3431 -2.0057 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6142 0.4852 -1.7395 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3717 -2.3254 1.8616 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1354 -1.6121 1.7504 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 2 0 4 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 9 11 1 0 11 12 1 0 11 13 2 0 13 6 1 0 1 14 1 0 1 15 1 0 1 16 1 0 2 17 1 0 3 18 1 0 3 19 1 0 3 20 1 0 7 21 1 0 8 22 1 0 10 23 1 0 12 24 1 0 13 25 1 0 M END