HMDB0035688 RDKit 3D Valencene 39 40 0 0 0 0 0 0 0 0999 V2000 3.9052 0.1357 -0.2453 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9694 0.3348 0.6593 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2621 1.2566 1.7867 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6468 -0.3124 0.6012 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6646 -1.3580 -0.4727 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3919 -2.1592 -0.5299 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7975 -1.3281 -0.1539 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8621 -1.9688 0.2613 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1211 -1.3130 0.6710 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1759 -0.0118 -0.1472 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9444 0.7506 0.2914 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1077 2.1910 -0.1005 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6917 0.1278 -0.2783 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5993 0.5783 -1.7262 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4823 0.6113 0.5321 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8790 0.6556 -0.1452 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8007 -0.5254 -1.1182 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7996 2.1734 1.4095 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3543 1.5894 2.3185 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9813 0.7876 2.5123 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5438 -0.8723 1.5803 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8679 -0.8921 -1.4580 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4872 -2.0630 -0.2626 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2310 -2.4757 -1.5797 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4484 -3.0844 0.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8742 -3.0810 0.3308 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9621 -1.9328 0.3493 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1222 -1.0892 1.7563 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0736 -0.3389 -1.2117 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1026 0.5412 0.0194 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9133 0.7402 1.4196 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8283 2.8878 0.7437 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1813 2.3985 -0.2879 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5101 2.5056 -0.9567 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0801 1.4517 -1.7820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2270 -0.2059 -2.3991 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6311 0.8295 -2.1091 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8216 1.5724 0.0633 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1084 0.8931 1.5380 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 11 13 1 0 13 14 1 0 13 15 1 0 15 4 1 0 13 7 1 0 1 16 1 0 1 17 1 0 3 18 1 0 3 19 1 0 3 20 1 0 4 21 1 0 5 22 1 0 5 23 1 0 6 24 1 0 6 25 1 0 8 26 1 0 9 27 1 0 9 28 1 0 10 29 1 0 10 30 1 0 11 31 1 0 12 32 1 0 12 33 1 0 12 34 1 0 14 35 1 0 14 36 1 0 14 37 1 0 15 38 1 0 15 39 1 0 M END