HMDB0030904 RDKit 3D alpha,alpha-Dimethylanisalacetone 31 31 0 0 0 0 0 0 0 0999 V2000 5.7146 0.9333 0.4031 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1042 -0.1977 -0.1404 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7443 -0.4056 -0.1747 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2333 -1.5695 -0.7402 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8912 -1.7985 -0.7862 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0007 -0.8542 -0.2588 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4286 -1.1218 -0.3199 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3048 -0.2816 0.1537 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7402 -0.6172 0.0584 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1173 -1.6936 -0.4696 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7448 0.3313 0.5939 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6135 1.6426 -0.1277 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1205 -0.2469 0.5296 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5362 0.2834 0.2919 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8898 0.5332 0.3479 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2249 1.1937 1.3578 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7929 0.7068 0.5295 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6534 1.8242 -0.2760 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9170 -2.3092 -1.1525 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4676 -2.7064 -1.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7637 -2.0378 -0.7685 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0467 0.6503 0.6144 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4407 0.5258 1.6630 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9643 2.4861 0.5012 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5481 1.8304 -0.3601 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1471 1.5948 -1.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1048 -1.2308 1.0326 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8188 0.3904 1.0995 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4050 -0.3600 -0.5312 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8597 1.0443 0.7147 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2787 1.4603 0.7992 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 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 9 11 1 0 11 12 1 0 11 13 1 0 6 14 1 0 14 15 2 0 15 3 1 0 1 16 1 0 1 17 1 0 1 18 1 0 4 19 1 0 5 20 1 0 7 21 1 0 8 22 1 0 11 23 1 0 12 24 1 0 12 25 1 0 12 26 1 0 13 27 1 0 13 28 1 0 13 29 1 0 14 30 1 0 15 31 1 0 M END