HMDB0040763 RDKit 3D Italicene ether 40 42 0 0 0 0 0 0 0 0999 V2000 4.1154 -0.5015 -0.4639 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6552 -0.4709 -0.3219 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0963 -0.4854 0.8808 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6286 -0.4526 0.9464 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1568 -1.6310 0.3072 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2021 -1.3813 -0.0107 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9658 -2.1825 1.0609 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5804 -1.9583 -1.3347 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4237 0.0128 0.2096 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1486 0.9284 -0.6276 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5718 2.2734 -0.1430 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2332 1.9277 0.5366 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2813 2.1405 2.0064 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0101 0.5699 0.0657 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5688 0.5110 -1.2882 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7377 -0.4258 -1.4904 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4632 -1.5612 -0.2963 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5369 0.1595 0.3446 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3827 -0.1599 -1.4731 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6963 -0.5199 1.7711 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2193 -0.4994 1.9681 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6436 -1.8286 2.0626 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6244 -3.2228 0.9588 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0586 -2.0729 0.9137 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3923 -2.7394 -1.2415 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0074 -1.2119 -2.0354 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7162 -2.5087 -1.7476 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6707 0.2080 1.2798 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2524 0.8907 -0.3848 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0775 0.8298 -1.7076 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2465 2.6109 0.6684 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4474 2.9758 -0.9619 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5157 2.6357 0.0944 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3620 1.4424 2.5768 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1209 3.1675 2.2524 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3294 2.1641 2.4231 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9681 1.5402 -1.5374 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1490 0.2970 -2.1008 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4259 -1.4398 -1.8153 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3624 -0.0312 -2.3450 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 1 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 15 1 0 15 16 1 0 16 2 1 0 14 4 1 0 14 9 1 0 1 17 1 0 1 18 1 0 1 19 1 0 3 20 1 0 4 21 1 0 7 22 1 0 7 23 1 0 7 24 1 0 8 25 1 0 8 26 1 0 8 27 1 0 9 28 1 0 10 29 1 0 10 30 1 0 11 31 1 0 11 32 1 0 12 33 1 0 13 34 1 0 13 35 1 0 13 36 1 0 15 37 1 0 15 38 1 0 16 39 1 0 16 40 1 0 M END