HMDB0304059 RDKit 3D 2-butyl-4-hydroxy-5-methyl-3(2H)-furanone 25 25 0 0 0 0 0 0 0 0999 V2000 3.7406 0.9245 -0.1939 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8286 0.0537 0.6437 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5227 -0.0754 -0.0773 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5218 -0.9257 0.6605 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7474 -0.9609 -0.1951 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2291 0.3489 -0.3619 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5754 0.3659 -0.0601 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4586 1.5590 -0.2722 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9890 -0.7897 0.4355 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2649 -1.1471 0.8511 O 0 0 0 0 0 1 0 0 0 0 0 0 -1.8365 -1.6819 0.4815 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7655 -2.8308 0.9881 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2717 1.2017 -1.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0344 1.8546 0.3396 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6297 0.2976 -0.4444 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6762 0.5743 1.6332 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2696 -0.9408 0.8599 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6982 -0.4783 -1.0825 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0868 0.9472 -0.1706 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2876 -0.4982 1.6504 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8883 -1.9654 0.7929 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5550 -1.4151 -1.1777 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5573 1.7380 -1.3479 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0114 2.4649 0.2102 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4657 1.3790 0.1807 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 1 0 7 9 2 0 9 10 1 0 9 11 1 0 11 12 2 0 11 5 1 0 1 13 1 0 1 14 1 0 1 15 1 0 2 16 1 0 2 17 1 0 3 18 1 0 3 19 1 0 4 20 1 0 4 21 1 0 5 22 1 0 8 23 1 0 8 24 1 0 8 25 1 0 M CHG 1 10 -1 M END