HMDB0038912 RDKit 3D 4-Glucosyl gallate 39 40 0 0 0 0 0 0 0 0999 V2000 0.4571 0.6659 1.7757 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8466 0.2661 0.6402 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1114 -0.2713 -0.2076 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4330 -0.3517 0.2047 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3858 0.4374 -0.6871 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9033 1.8616 -0.8649 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8614 2.5280 -1.6270 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5999 0.4727 -0.0404 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1746 -0.7471 0.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4025 -0.5395 0.8130 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2928 -1.6982 0.9677 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9832 -1.1834 2.2231 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9721 -1.7797 0.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0982 -2.6819 0.7412 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2535 0.3768 0.2613 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1516 0.9202 1.1512 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4755 1.0215 0.7876 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3931 1.5663 1.6718 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9642 0.5976 -0.4511 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3067 0.7348 -0.7374 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0567 0.0547 -1.3356 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4823 -0.3860 -2.5857 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7288 -0.0417 -0.9583 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6040 0.0479 1.2396 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4807 -0.1035 -1.6493 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8909 1.9365 -1.2666 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9513 2.3283 0.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7397 2.2252 -2.5660 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3334 -1.2388 -0.8155 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5960 -1.1827 1.5145 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8102 -2.6646 1.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8399 -0.8302 2.6056 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2464 -2.0106 -0.8612 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6734 -3.1834 -0.0236 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8747 1.2796 2.1385 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1687 1.9045 2.5844 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7504 0.4688 -1.5771 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4355 -0.3243 -2.8743 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0387 -0.4758 -1.6817 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 5 8 1 0 8 9 1 0 9 10 1 0 9 11 1 0 11 12 1 0 11 13 1 0 13 14 1 0 2 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 17 19 2 0 19 20 1 0 19 21 1 0 21 22 1 0 21 23 2 0 13 4 1 0 23 15 1 0 4 24 1 0 5 25 1 0 6 26 1 0 6 27 1 0 7 28 1 0 9 29 1 0 10 30 1 0 11 31 1 0 12 32 1 0 13 33 1 0 14 34 1 0 16 35 1 0 18 36 1 0 20 37 1 0 22 38 1 0 23 39 1 0 M END