HMDB0302746 RDKit 3D Piperitone oxide 28 29 0 0 0 0 0 0 0 0999 V2000 -2.5942 1.2794 0.5108 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9544 -0.0372 0.1194 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8759 -0.7173 -0.8499 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6021 0.2655 -0.4738 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1309 -0.9819 -0.9028 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5909 -0.6226 -1.0789 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2242 -0.4085 0.2758 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6912 -0.1784 0.3215 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5333 -0.9497 1.3280 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3916 0.4267 1.1831 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1980 0.9905 0.5328 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1624 2.1164 0.8309 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7046 1.2172 0.4757 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3300 1.5916 1.5274 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2676 2.0935 -0.1824 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8319 -0.6155 1.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6169 0.0032 -1.2741 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3915 -1.5586 -0.3185 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3660 -1.1749 -1.7116 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7415 0.9206 -1.3553 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2186 -1.3871 -1.8628 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0201 -1.7640 -0.1312 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0827 -1.5346 -1.5088 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6501 0.2440 -1.7363 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9861 0.3021 -0.6539 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3087 -1.0699 0.4208 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9708 0.5425 1.1155 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8791 1.0071 1.9630 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 1 0 6 7 1 0 7 8 1 0 7 9 1 0 9 10 1 0 10 11 1 0 11 12 2 0 11 4 1 0 10 7 1 0 1 13 1 0 1 14 1 0 1 15 1 0 2 16 1 0 3 17 1 0 3 18 1 0 3 19 1 0 4 20 1 0 5 21 1 0 5 22 1 0 6 23 1 0 6 24 1 0 8 25 1 0 8 26 1 0 8 27 1 0 10 28 1 0 M END