HMDB0036163 RDKit 3D beta-Sesquiphellandrene 39 39 0 0 0 0 0 0 0 0999 V2000 5.3929 0.9688 0.2533 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0888 0.9674 -0.0421 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6052 0.3298 -1.2628 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4113 -0.2422 -1.2790 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6611 -0.1701 0.0023 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3066 -0.7500 -0.1753 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4502 -2.1926 -0.5986 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5885 -0.5812 1.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9573 -1.1791 0.8114 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6518 -0.5293 -0.3605 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8002 0.1083 -0.2239 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4463 0.7317 -1.4036 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4849 0.2287 1.0892 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6881 1.2638 0.4390 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0989 1.6118 0.8595 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1171 0.5034 -0.3958 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7670 1.4352 1.1508 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2355 0.3339 -2.1426 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0786 -0.7004 -2.1806 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2566 -0.7734 0.7320 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1668 -0.2238 -1.0559 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3138 -2.4926 -1.3426 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4772 -2.8819 0.2751 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4332 -2.2963 -1.0997 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7374 0.5018 1.2026 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1630 -1.0165 1.9264 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9499 -2.2538 0.6194 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6118 -0.9983 1.6862 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2141 -0.5746 -1.3509 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9771 0.4129 -2.3635 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5130 0.4326 -1.4162 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4238 1.8390 -1.3453 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4966 0.6673 0.9790 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9293 0.8897 1.7836 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6327 -0.7531 1.5833 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4377 1.9596 -0.4021 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0285 1.5142 1.2632 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2634 2.7046 0.8898 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2605 1.2044 1.8779 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 1 0 6 8 1 0 8 9 1 0 9 10 1 0 10 11 2 3 11 12 1 0 11 13 1 0 5 14 1 0 14 15 1 0 15 2 1 0 1 16 1 0 1 17 1 0 3 18 1 0 4 19 1 0 5 20 1 0 6 21 1 0 7 22 1 0 7 23 1 0 7 24 1 0 8 25 1 0 8 26 1 0 9 27 1 0 9 28 1 0 10 29 1 0 12 30 1 0 12 31 1 0 12 32 1 0 13 33 1 0 13 34 1 0 13 35 1 0 14 36 1 0 14 37 1 0 15 38 1 0 15 39 1 0 M END