HMDB0302633 RDKit 3D Hydroxycaryophyllene 41 43 0 0 0 0 0 0 0 0999 V2000 -0.8758 3.1048 0.1789 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1707 2.0680 -0.2648 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2796 2.1108 0.0435 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1197 1.1270 -0.6899 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0311 0.3393 0.2207 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6540 -0.7291 -0.5699 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6587 -0.9296 0.5464 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4233 -1.7084 1.6227 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3851 -1.5102 0.0513 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1361 -0.7637 0.5139 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6970 -0.3830 -0.6431 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8617 1.0223 -0.9967 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3160 0.9210 -0.4994 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1833 -0.6006 -0.5199 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8374 -1.2135 -1.7246 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6853 -1.2420 0.7347 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4071 -0.5618 1.8922 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4412 3.9375 0.7318 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9452 3.1301 -0.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7129 3.1304 -0.2226 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4724 2.0948 1.1606 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5255 0.4393 -1.2864 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8193 1.6108 -1.4395 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7982 0.9260 0.7344 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2259 -1.0516 2.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8690 -2.5860 1.0967 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7623 -2.0014 2.4458 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3685 -2.5889 0.3664 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3593 -1.5804 -1.0779 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4592 -1.5393 1.0895 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3459 0.0078 1.2522 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3598 -0.9741 -1.5547 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9222 1.2247 -2.1072 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0703 1.2576 -1.2033 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4496 1.2629 0.5551 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5850 -0.5154 -2.1549 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3087 -2.1905 -1.4964 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0391 -1.4195 -2.4845 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3312 -2.2786 0.7958 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8080 -1.2602 0.6374 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1930 -0.0872 2.2635 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 3 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 1 0 12 13 1 0 13 14 1 0 14 15 1 0 14 16 1 0 16 17 1 0 12 2 1 0 7 5 1 0 14 11 1 0 1 18 1 0 1 19 1 0 3 20 1 0 3 21 1 0 4 22 1 0 4 23 1 0 5 24 1 0 8 25 1 0 8 26 1 0 8 27 1 0 9 28 1 0 9 29 1 0 10 30 1 0 10 31 1 0 11 32 1 0 12 33 1 0 13 34 1 0 13 35 1 0 15 36 1 0 15 37 1 0 15 38 1 0 16 39 1 0 16 40 1 0 17 41 1 0 M END