HMDB0035715 RDKit 3D Tanacetin 39 41 0 0 0 0 0 0 0 0999 V2000 4.4243 -0.6399 0.1832 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1801 -0.3105 -0.0977 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7967 0.5018 -1.2459 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5499 0.9402 -2.1624 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4036 0.7267 -1.1660 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1136 0.6434 0.2148 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9007 -0.6230 0.5862 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3047 -1.8417 -0.0796 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0081 -1.5496 -0.7781 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9424 -0.7597 0.1216 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2250 -1.6691 1.3114 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2006 -0.5130 -0.6816 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8166 0.1587 -1.8438 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1097 0.4393 0.0934 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5350 1.8103 -0.0582 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0348 1.7325 0.0168 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3754 2.7962 -0.4295 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3269 0.5521 0.5533 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4184 0.5863 1.9549 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6789 -1.2559 1.0601 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2675 -0.3394 -0.4087 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5911 1.4544 0.8115 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0111 -0.7346 1.6670 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9836 -2.3009 -0.8264 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0743 -2.5693 0.7503 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1073 -1.1194 -1.7743 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5030 -2.5470 -0.9205 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3580 -1.5605 1.9930 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1344 -1.4082 1.8476 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2788 -2.7136 0.9616 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7582 -1.4251 -0.8738 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5722 0.5530 -2.3308 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2071 0.1772 1.1434 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1155 0.4396 -0.3715 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8587 2.5281 0.7026 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7617 2.2623 -1.0554 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7080 2.8091 -0.4054 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8765 3.6736 -0.8262 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3055 1.0955 2.3630 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 3 4 2 0 3 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 10 12 1 0 12 13 1 0 12 14 1 0 14 15 1 0 15 16 1 0 16 17 2 3 16 18 1 0 18 19 1 0 7 2 1 0 18 10 1 0 18 6 1 0 1 20 1 0 1 21 1 0 6 22 1 0 7 23 1 0 8 24 1 0 8 25 1 0 9 26 1 0 9 27 1 0 11 28 1 0 11 29 1 0 11 30 1 0 12 31 1 0 13 32 1 0 14 33 1 0 14 34 1 0 15 35 1 0 15 36 1 0 17 37 1 0 17 38 1 0 19 39 1 0 M END