HMDB0031693 RDKit 3D Ethyl (S)-3-hydroxybutyrate glucoside 42 42 0 0 0 0 0 0 0 0999 V2000 6.3471 0.5132 0.9648 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6487 -0.3968 0.0059 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4502 0.1202 -0.4968 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3521 0.4705 0.2705 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4256 0.3164 1.5147 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0905 1.0188 -0.2927 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1143 -0.1500 -0.3522 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6961 -1.2240 -1.2416 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1586 0.2163 -0.6945 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1071 -0.0554 0.3140 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0026 -1.0237 -0.0834 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9686 -0.6396 -0.9501 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0295 -1.7496 -0.9812 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5791 -1.9457 0.2707 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5644 0.7023 -0.7387 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9713 0.5466 -0.7442 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1942 1.3194 0.5690 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8834 0.7462 1.6441 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7231 1.1903 0.8452 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4806 1.3631 2.2122 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6886 0.8126 1.8040 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7457 1.3940 0.4150 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2365 -0.0602 1.3598 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3222 -0.5667 -0.8706 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5299 -1.3901 0.4852 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6477 1.7596 0.4104 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2769 1.4611 -1.2846 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0842 -0.5871 0.6750 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9584 -2.0156 -1.4786 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5412 -1.7248 -0.7246 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1420 -0.7774 -2.1750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5237 -0.5126 1.1455 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5280 -0.6559 -1.9869 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7740 -1.5722 -1.7639 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4484 -2.6838 -1.2248 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9903 -2.8527 0.2698 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3546 1.3964 -1.5791 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3813 1.4618 -0.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5144 2.3868 0.5460 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8556 0.6087 1.4291 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2208 2.0561 0.3441 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0442 0.7233 2.7351 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 2 0 4 6 1 0 6 7 1 0 7 8 1 0 7 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 12 15 1 0 15 16 1 0 15 17 1 0 17 18 1 0 17 19 1 0 19 20 1 0 19 10 1 0 1 21 1 0 1 22 1 0 1 23 1 0 2 24 1 0 2 25 1 0 6 26 1 0 6 27 1 0 7 28 1 0 8 29 1 0 8 30 1 0 8 31 1 0 10 32 1 0 12 33 1 0 13 34 1 0 13 35 1 0 14 36 1 0 15 37 1 0 16 38 1 0 17 39 1 0 18 40 1 0 19 41 1 0 20 42 1 0 M END