HMDB0036999 RDKit 3D Piperitenone 25 25 0 0 0 0 0 0 0 0999 V2000 3.4538 0.7812 -0.4556 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0333 0.4297 -0.1400 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4748 0.7893 0.9905 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0901 0.4745 1.3633 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3973 0.8348 2.4307 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6323 -0.2994 0.3430 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9275 -0.1915 0.2498 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6734 0.6993 1.1584 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6182 -1.0004 -0.8042 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2303 -1.1619 -0.5008 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2754 -0.3025 -1.1598 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1080 0.6733 0.4322 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5488 1.8267 -0.7994 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8604 0.1337 -1.2526 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1017 1.3567 1.6773 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1591 1.6895 1.1510 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6512 0.2489 2.1754 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7318 0.7746 0.8296 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2258 -0.7550 -1.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4303 -2.0773 -0.5813 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7146 -0.8606 -0.7100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3986 -1.6877 -1.2576 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7380 -1.8835 0.1727 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7000 0.4036 -1.8361 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9457 -0.8960 -1.8273 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 2 3 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 8 16 1 0 8 17 1 0 8 18 1 0 9 19 1 0 9 20 1 0 9 21 1 0 10 22 1 0 10 23 1 0 11 24 1 0 11 25 1 0 M END