HMDB0303915 RDKit 3D 4-tert-Butylcyclohexyl acetate 36 36 0 0 0 0 0 0 0 0999 V2000 5.1143 1.2072 0.4001 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1843 0.0468 0.4217 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5298 -1.1388 0.5431 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8373 0.3307 0.2955 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8296 -0.6500 0.2968 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1449 -0.5683 -1.0544 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0900 0.3155 -0.8329 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0796 -0.5601 -0.1250 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4346 0.0756 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3760 -0.8513 0.7034 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3925 1.3848 0.7096 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9805 0.2833 -1.4205 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4998 -0.9791 1.1818 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8791 -0.4181 1.4359 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1378 1.5650 -0.6563 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6352 2.0057 0.9952 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1190 0.9386 0.7840 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2384 -1.6885 0.4113 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7745 -0.0429 -1.8055 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8568 -1.5437 -1.4505 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2296 1.1462 -0.1848 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4527 0.7408 -1.7721 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2117 -1.4767 -0.7690 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9150 -1.8492 0.7836 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3284 -0.9715 0.1514 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6171 -0.4841 1.7218 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9192 2.1859 0.1131 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4192 1.7081 0.9741 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8296 1.2339 1.6564 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9055 -0.6463 -1.9906 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4526 1.1040 -1.9459 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0406 0.6291 -1.2743 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1384 -0.6484 2.0315 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4772 -2.1042 1.2681 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7769 0.6512 1.7171 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2727 -0.9313 2.3416 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 9 11 1 0 9 12 1 0 8 13 1 0 13 14 1 0 14 5 1 0 1 15 1 0 1 16 1 0 1 17 1 0 5 18 1 0 6 19 1 0 6 20 1 0 7 21 1 0 7 22 1 0 8 23 1 0 10 24 1 0 10 25 1 0 10 26 1 0 11 27 1 0 11 28 1 0 11 29 1 0 12 30 1 0 12 31 1 0 12 32 1 0 13 33 1 0 13 34 1 0 14 35 1 0 14 36 1 0 M END