HMDB0031315 RDKit 3D 1-(beta-D-Glucopyranosyloxy)-3-octanone 47 47 0 0 0 0 0 0 0 0999 V2000 6.5532 -1.1280 -0.3615 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5807 0.2377 0.3289 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4248 1.0581 -0.1406 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0903 0.4391 0.1735 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9421 1.2833 -0.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6788 0.6025 0.0236 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0362 1.0055 0.9597 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1914 -0.5640 -0.7383 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1730 -1.0179 -0.2345 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0368 0.0552 -0.4319 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3576 -0.2385 -0.0359 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0890 -0.2146 -1.2259 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4238 -0.5330 -1.0778 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5639 -2.0133 -0.9288 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0467 -2.6254 -2.0698 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0368 0.2026 0.0873 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3418 0.5963 -0.1386 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1163 1.3844 0.3638 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6805 2.3477 1.1566 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8573 0.7571 0.9806 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9385 1.7315 1.3196 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6609 -1.6483 -0.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4931 -0.8834 -1.4644 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4694 -1.7178 -0.1451 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5277 0.0067 1.4234 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5447 0.7142 0.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4832 2.0783 0.2931 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4537 1.2034 -1.2401 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9232 0.2472 1.2417 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9866 -0.5493 -0.3542 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9701 2.2996 0.1271 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0131 1.4490 -1.4424 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1328 -0.3242 -1.8289 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9206 -1.4202 -0.6452 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5405 -1.8929 -0.7888 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1200 -1.3074 0.8372 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3279 -1.2633 0.3563 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9765 -0.1982 -1.9842 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6328 -2.2852 -0.7730 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9944 -2.3433 -0.0472 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9383 -3.6022 -1.8895 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0143 -0.4860 0.9505 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4012 1.3840 -0.7471 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7939 1.8238 -0.6270 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5985 3.2646 0.7706 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1910 0.2438 1.9225 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8853 1.8407 2.3000 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 2 0 6 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 13 16 1 0 16 17 1 0 16 18 1 0 18 19 1 0 18 20 1 0 20 21 1 0 20 11 1 0 1 22 1 0 1 23 1 0 1 24 1 0 2 25 1 0 2 26 1 0 3 27 1 0 3 28 1 0 4 29 1 0 4 30 1 0 5 31 1 0 5 32 1 0 8 33 1 0 8 34 1 0 9 35 1 0 9 36 1 0 11 37 1 0 13 38 1 0 14 39 1 0 14 40 1 0 15 41 1 0 16 42 1 0 17 43 1 0 18 44 1 0 19 45 1 0 20 46 1 0 21 47 1 0 M END