HMDB0000640 RDKit 3D Levoglucosan 21 22 0 0 0 0 0 0 0 0999 V2000 -0.1943 -2.4874 0.5039 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2762 -1.1180 0.4033 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1043 -0.4779 0.3216 C 0 0 2 0 0 0 0 0 0 0 0 0 1.9278 -0.8365 1.3512 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8664 1.0146 0.2187 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0223 1.7529 0.1937 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0262 1.2447 -0.9790 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.3120 1.6064 -0.6368 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0471 0.4476 -0.4452 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0486 -0.6461 -0.8059 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.2261 0.0529 -1.7101 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5375 -2.7412 1.4156 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7529 -0.6558 1.3173 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5097 -0.7866 -0.6864 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8211 -1.0751 0.9434 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2976 1.2928 1.1507 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2449 2.1616 1.0879 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4870 1.9675 -1.6385 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4674 0.3339 0.5523 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8140 0.4261 -1.2646 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5788 -1.4766 -1.2933 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 3 5 1 0 5 6 1 0 5 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 10 2 1 0 11 7 1 0 1 12 1 0 2 13 1 1 3 14 1 6 4 15 1 0 5 16 1 1 6 17 1 0 7 18 1 6 9 19 1 0 9 20 1 0 10 21 1 6 M END