HMDB0059944 RDKit 3D 2-(3-Methylphenyl)-1,3-dioxan-5-ol 28 29 0 0 0 0 0 0 0 0999 V2000 3.6788 1.2910 1.1502 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8228 0.3240 0.4254 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3796 -0.7234 -0.3056 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6239 -1.6309 -0.9840 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2670 -1.5206 -0.9543 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6591 -0.5046 -0.2477 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8090 -0.4272 -0.2455 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2655 0.8902 -0.4480 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5816 0.7582 -0.9234 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3866 0.1348 0.1714 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2469 1.0864 0.7666 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5508 -0.4322 1.2826 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3722 -0.9911 0.8864 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4512 0.4084 0.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5017 1.2984 2.2361 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7425 0.9955 1.0038 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5906 2.3093 0.7083 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4441 -0.7954 -0.3185 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1014 -2.4246 -1.5359 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6707 -2.2574 -1.5045 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1927 -0.9958 -1.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5098 -0.0056 -1.7510 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9942 1.6935 -1.3002 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0876 -0.6411 -0.2523 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4215 1.7928 0.0953 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1575 -1.2138 1.7843 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3257 0.3838 2.0212 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9679 1.1970 0.9840 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 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 10 12 1 0 12 13 1 0 6 14 2 0 14 2 1 0 13 7 1 0 1 15 1 0 1 16 1 0 1 17 1 0 3 18 1 0 4 19 1 0 5 20 1 0 7 21 1 0 9 22 1 0 9 23 1 0 10 24 1 0 11 25 1 0 12 26 1 0 12 27 1 0 14 28 1 0 M END