HMDB0038248 RDKit 3D Bornyl isovalerate 43 44 0 0 0 0 0 0 0 0999 V2000 3.1732 1.0748 0.9186 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4412 -0.3718 1.1992 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8761 -0.4903 1.7078 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3477 -1.1687 -0.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0161 -1.0875 -0.6998 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7710 -1.7019 -1.7684 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9549 -0.3684 -0.2229 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2954 -0.2551 -0.7696 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.4578 1.2143 -1.2037 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8487 1.6217 -0.7447 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.8753 1.8436 0.7372 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5240 0.4541 1.2727 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4796 -0.4599 0.0693 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.9455 -1.8328 0.3019 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5374 0.2480 -0.8110 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8769 0.2508 -0.1785 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5478 -0.3087 -2.1936 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8375 1.6907 1.5566 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3551 1.2490 -0.1618 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0925 1.2581 1.1663 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7591 -0.7999 1.9584 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1533 0.3221 2.3783 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5232 -0.4603 0.7836 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0241 -1.4886 2.1827 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4968 -2.2516 0.2196 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1742 -0.9293 -0.7473 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4088 -0.8374 -1.7141 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2581 1.8655 -0.6499 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2954 1.3462 -2.2712 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3237 2.3680 -1.3506 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9327 2.0458 1.0339 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1911 2.6161 1.0934 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2320 0.1001 2.0214 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5395 0.5592 1.7608 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3942 -2.5772 -0.3456 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0174 -1.9919 0.0246 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9033 -2.1611 1.3828 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9100 -0.0637 0.8725 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5517 -0.3970 -0.8106 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3114 1.2718 -0.2555 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8141 0.1259 -2.8761 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5616 -0.0881 -2.6342 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4788 -1.4345 -2.1850 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 2 0 5 7 1 0 7 8 1 0 8 9 1 0 9 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 15 17 1 0 13 8 1 0 15 10 1 0 1 18 1 0 1 19 1 0 1 20 1 0 2 21 1 0 3 22 1 0 3 23 1 0 3 24 1 0 4 25 1 0 4 26 1 0 8 27 1 6 9 28 1 0 9 29 1 0 10 30 1 6 11 31 1 0 11 32 1 0 12 33 1 0 12 34 1 0 14 35 1 0 14 36 1 0 14 37 1 0 16 38 1 0 16 39 1 0 16 40 1 0 17 41 1 0 17 42 1 0 17 43 1 0 M END