HMDB0035600 RDKit 3D (S)-Phellandral 27 27 0 0 0 0 0 0 0 0999 V2000 -2.6699 -0.5026 -0.9549 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7764 -0.0188 0.1548 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3572 -0.5338 1.4574 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3642 -0.5501 0.0403 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4107 0.0078 1.2023 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8590 -0.1080 1.0753 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4212 0.0784 -0.1002 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8846 -0.0312 -0.2644 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6529 -0.3030 0.6923 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5826 0.3966 -1.2484 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2680 -0.3242 -1.2868 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5640 -1.5882 -1.0465 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5260 0.0410 -1.9055 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7201 -0.3050 -0.6468 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7060 1.0860 0.1364 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3863 -0.9492 1.3164 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7590 -1.3281 1.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4535 0.2796 2.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4412 -1.6456 0.2044 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0938 -0.4845 2.1451 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1792 1.1024 1.3615 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4741 -0.3484 1.9533 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3327 0.1239 -1.2332 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1624 0.2106 -2.1761 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4035 1.5123 -1.2341 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4214 0.2969 -1.8961 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4204 -1.2645 -1.8565 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 2 0 7 8 1 0 8 9 2 0 7 10 1 0 10 11 1 0 11 4 1 0 1 12 1 0 1 13 1 0 1 14 1 0 2 15 1 0 3 16 1 0 3 17 1 0 3 18 1 0 4 19 1 0 5 20 1 0 5 21 1 0 6 22 1 0 8 23 1 0 10 24 1 0 10 25 1 0 11 26 1 0 11 27 1 0 M END