HMDB0036144 RDKit 3D Cycloionone 34 35 0 0 0 0 0 0 0 0999 V2000 4.1710 -0.8211 -0.2127 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6964 -0.6569 -0.1515 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9273 -1.7522 -0.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4842 -1.5958 -0.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0897 -0.4276 -0.0192 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5836 -0.4003 0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0932 -1.6344 -0.6801 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9894 -0.5046 1.4828 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1567 0.7949 -0.6516 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2895 1.9616 -0.8702 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1808 1.6985 -1.0681 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7038 0.7998 0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4544 1.4731 1.3838 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0544 0.5700 -0.1076 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4922 -1.6048 -0.9152 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6061 -1.0808 0.7846 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5906 0.1645 -0.5477 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4055 -2.6984 -0.1827 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1197 -2.5246 -0.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1546 -2.5196 0.0032 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1299 -1.4304 -1.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4337 -1.9436 -1.5216 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1392 -0.5487 2.1829 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6270 0.3916 1.7425 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5809 -1.4258 1.6855 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6612 0.5109 -1.6230 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0284 1.1339 -0.0132 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4275 2.7533 -0.0805 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6237 2.4933 -1.8117 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3979 1.2673 -2.0495 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7115 2.6649 -0.9744 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8455 0.7893 2.1602 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6287 1.6714 1.4448 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0348 2.4316 1.4345 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 1 0 6 8 1 0 6 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 12 14 1 0 14 2 1 0 12 5 1 0 1 15 1 0 1 16 1 0 1 17 1 0 3 18 1 0 4 19 1 0 7 20 1 0 7 21 1 0 7 22 1 0 8 23 1 0 8 24 1 0 8 25 1 0 9 26 1 0 9 27 1 0 10 28 1 0 10 29 1 0 11 30 1 0 11 31 1 0 13 32 1 0 13 33 1 0 13 34 1 0 M END