HMDB0036732 RDKit 3D alpha-Caryophyllene alcohol 42 44 0 0 0 0 0 0 0 0999 V2000 3.4120 1.0133 0.5198 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3866 0.3236 -0.3386 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9782 -0.3484 -1.5470 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2940 1.3053 -0.7000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1227 0.4250 -1.0630 C 0 0 1 0 0 0 0 0 0 0 0 0 0.3721 -0.8964 -0.3269 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6134 -0.7039 0.4799 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8696 -1.0797 0.5557 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.6016 -1.9272 1.7478 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9158 -1.7391 -0.2918 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9635 -0.8002 -0.8052 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3180 0.4357 -1.3585 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1841 0.9522 -0.5331 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.2410 2.4338 -0.4170 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1802 0.3581 0.8808 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3564 0.5502 1.5411 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9221 1.3078 1.4647 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7592 1.9449 0.0388 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2646 0.3550 0.7410 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9267 0.3900 -2.3824 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3917 -1.2514 -1.8468 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0228 -0.6637 -1.3391 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0466 1.8864 0.2004 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6025 1.9346 -1.5529 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0797 0.2806 -2.1485 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4891 -1.7227 -1.0381 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4585 -0.2658 1.4732 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2168 -1.6287 0.5952 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8141 -2.9928 1.4605 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2926 -1.6801 2.5743 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4396 -1.9174 2.1022 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4503 -2.5459 0.2729 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4540 -2.2340 -1.1827 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7708 -0.5879 -0.0766 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4582 -1.3175 -1.6768 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9200 0.1826 -2.3775 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0977 1.2296 -1.4594 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8846 2.8927 -1.3496 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3295 2.7144 -0.3031 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7454 2.8298 0.4836 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2856 0.7881 1.3745 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6659 -0.2308 2.0455 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 1 0 6 8 1 0 8 9 1 1 8 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 1 13 15 1 0 15 16 1 0 7 2 1 0 15 8 1 0 13 5 1 0 1 17 1 0 1 18 1 0 1 19 1 0 3 20 1 0 3 21 1 0 3 22 1 0 4 23 1 0 4 24 1 0 5 25 1 6 6 26 1 6 7 27 1 0 7 28 1 0 9 29 1 0 9 30 1 0 9 31 1 0 10 32 1 0 10 33 1 0 11 34 1 0 11 35 1 0 12 36 1 0 12 37 1 0 14 38 1 0 14 39 1 0 14 40 1 0 15 41 1 0 16 42 1 0 M END