HMDB0040227 RDKit 3D Isopulegol acetate 34 34 0 0 0 0 0 0 0 0999 V2000 2.4049 -1.1861 -1.4309 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0013 -0.4557 -0.4149 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8392 0.6830 0.0311 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7479 -0.7613 0.2660 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0446 -1.9575 -0.3392 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2270 -2.2873 0.3840 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1332 -1.1056 0.4688 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.4118 -1.3600 1.1779 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3581 0.0060 1.1756 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2504 0.3895 0.2095 C 0 0 1 0 0 0 0 0 0 0 0 0 0.3124 1.6265 0.4927 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2857 2.6335 -0.4575 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8734 3.9884 -0.2175 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2560 2.3878 -1.5604 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8624 -2.0354 -1.8276 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3365 -0.9421 -1.9186 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5358 1.1124 0.9928 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8926 0.3065 0.1899 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9111 1.4499 -0.7896 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9172 -1.0260 1.3516 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7259 -2.8352 -0.3467 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1977 -1.7151 -1.3932 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7566 -3.0628 -0.2407 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9658 -2.7213 1.3649 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3241 -0.7480 -0.5641 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2369 -1.5603 2.2541 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0253 -0.4347 1.1344 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9921 -2.1444 0.6686 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9916 0.8471 1.4597 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9125 -0.4862 2.0889 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6930 0.3430 -0.8289 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9569 4.0080 -0.5255 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3644 4.7020 -0.8966 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7200 4.3417 0.8071 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 1 0 7 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 12 14 2 0 10 4 1 0 1 15 1 0 1 16 1 0 3 17 1 0 3 18 1 0 3 19 1 0 4 20 1 1 5 21 1 0 5 22 1 0 6 23 1 0 6 24 1 0 7 25 1 6 8 26 1 0 8 27 1 0 8 28 1 0 9 29 1 0 9 30 1 0 10 31 1 6 13 32 1 0 13 33 1 0 13 34 1 0 M END