HMDB0302219 RDKit 3D 1-O-Feruloyl-beta-D-glucose 45 46 0 0 0 0 0 0 0 0999 V2000 7.4837 1.1106 1.0238 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5438 0.4298 0.4714 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5610 -0.2147 -0.0576 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2286 0.1984 0.1554 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1812 -0.4654 -0.3916 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7760 -0.0588 -0.1879 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4124 0.9696 0.5309 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0088 1.2984 0.6786 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3953 2.2800 1.3604 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9381 0.5254 0.0615 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3181 0.7380 0.1274 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.9844 0.9354 -1.1937 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3875 1.9321 -1.9232 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3120 1.3340 -0.9325 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0412 0.2648 -0.3651 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.4804 0.7887 -0.2614 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2613 -0.2013 0.2869 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4729 0.0497 1.0214 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.2093 -0.8263 1.7827 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0363 -0.4060 0.8410 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.4315 -0.6871 2.0619 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4510 -1.5708 -1.1733 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7421 -1.9973 -1.3986 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8056 -1.3489 -0.8616 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1183 -1.7290 -1.0519 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8280 2.0565 0.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1810 1.5123 2.0523 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4597 0.5801 1.2367 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0486 1.0736 0.7767 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0173 -0.6828 -0.6864 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1430 1.5779 1.0163 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4961 1.6345 0.7615 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0741 -0.0001 -1.7842 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8998 2.7578 -1.8875 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0325 -0.6279 -0.9887 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5095 1.7180 0.3388 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8505 1.0537 -1.2650 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6950 -0.7769 -0.3685 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4323 1.0769 1.4902 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5500 -1.5365 1.1722 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0537 -1.2723 0.1555 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0837 -1.5954 2.1222 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6285 -2.1192 -1.6226 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9528 -2.8728 -2.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3743 -2.5168 -1.6045 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 8 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 12 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 15 18 1 0 18 19 1 0 18 20 1 0 20 21 1 0 5 22 2 0 22 23 1 0 23 24 2 0 24 25 1 0 24 3 1 0 20 11 1 0 1 26 1 0 1 27 1 0 1 28 1 0 4 29 1 0 6 30 1 0 7 31 1 0 11 32 1 1 12 33 1 0 13 34 1 0 15 35 1 6 16 36 1 0 16 37 1 0 17 38 1 0 18 39 1 1 19 40 1 0 20 41 1 6 21 42 1 0 22 43 1 0 23 44 1 0 25 45 1 0 M END