HMDB0035737 RDKit 3D (R)-Piperitone 27 27 0 0 0 0 0 0 0 0999 V2000 3.6219 0.0656 0.2547 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1426 0.0551 0.1501 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4648 0.9535 0.8472 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0118 0.9400 0.7410 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6728 1.1665 1.7783 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5727 0.6616 -0.5792 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.9269 0.0020 -0.5061 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9496 0.8221 0.2128 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8427 -1.4115 0.0233 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3378 -0.1212 -1.4630 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3784 -0.8870 -0.6716 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9780 -0.1568 1.2615 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0087 1.0476 -0.1266 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0113 -0.6960 -0.4560 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9783 1.6845 1.4876 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7399 1.6565 -1.0747 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2798 -0.0925 -1.5701 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8468 1.0605 -0.4305 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3781 0.1897 1.0401 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5906 1.7827 0.5926 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3505 -1.4740 1.0017 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9098 -1.7489 0.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4249 -2.1116 -0.7338 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1815 -0.8418 -2.1197 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9229 0.5434 -2.1628 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8144 -1.6120 -0.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9956 -1.4779 -1.3695 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 6 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