HMDB0034975 RDKit 3D Piperitone 27 27 0 0 0 0 0 0 0 0999 V2000 3.5435 -0.1449 -0.6442 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1917 0.2002 -0.1327 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4364 1.0577 -0.7705 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1255 1.3672 -0.2395 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4177 2.5076 -0.4132 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6068 0.3520 0.5190 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6683 -0.2347 -0.4012 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5989 0.8852 -0.8438 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5086 -1.2627 0.3080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2342 -0.7196 1.1095 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7105 -0.4280 1.0961 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7104 -1.2371 -0.6973 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3017 0.3685 -0.0167 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6486 0.2485 -1.6779 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7829 1.5322 -1.6808 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1884 0.8993 1.3179 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2165 -0.6709 -1.2985 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6489 0.5232 -0.9629 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6577 1.6852 -0.0611 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2422 1.3613 -1.7810 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9557 -2.2199 0.4632 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3575 -1.5084 -0.3674 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9008 -0.8583 1.2508 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0987 -1.6831 0.5400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0749 -0.8675 2.1656 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9903 0.2223 1.9734 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2684 -1.3750 1.2453 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 6 1 0 6 7 1 0 7 8 1 0 7 9 1 0 6 10 1 0 10 11 1 0 11 2 1 0 1 12 1 0 1 13 1 0 1 14 1 0 3 15 1 0 6 16 1 0 7 17 1 0 8 18 1 0 8 19 1 0 8 20 1 0 9 21 1 0 9 22 1 0 9 23 1 0 10 24 1 0 10 25 1 0 11 26 1 0 11 27 1 0 M END