HMDB0037821 RDKit 3D xi-1,8,8-Trimethyl-2-oxabicyclo[3.2.1]octan-3-one 28 29 0 0 0 0 0 0 0 0999 V2000 0.1955 1.5450 1.7682 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4580 0.5503 0.7038 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1004 1.2117 -0.4953 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7905 0.3040 -1.6395 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1402 -0.7814 -1.1086 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7321 -1.9367 -0.6939 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6888 -1.4888 0.3537 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8133 -2.0478 0.4532 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2935 -0.4619 1.1843 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7585 -0.0788 0.0984 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7298 0.9224 -0.4655 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4887 -1.0103 0.9995 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1495 1.7015 2.3375 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0410 2.5582 1.3396 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5516 1.2375 2.5185 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1986 1.2704 -0.2661 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7507 2.2493 -0.6422 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7536 -0.1469 -1.9795 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2549 0.8025 -2.4626 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8855 -1.0812 -1.8480 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3502 -2.2063 -1.5909 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1738 -2.8355 -0.4012 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2094 0.4914 -1.3918 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5349 1.0840 0.2487 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2584 1.8583 -0.7842 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3437 -2.0587 0.7192 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6046 -0.8389 0.9918 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1569 -0.8134 2.0529 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 2 0 7 9 1 0 5 10 1 0 10 11 1 0 10 12 1 0 9 2 1 0 10 2 1 0 1 13 1 0 1 14 1 0 1 15 1 0 3 16 1 0 3 17 1 0 4 18 1 0 4 19 1 0 5 20 1 0 6 21 1 0 6 22 1 0 11 23 1 0 11 24 1 0 11 25 1 0 12 26 1 0 12 27 1 0 12 28 1 0 M END