HMDB0037081 RDKit 3D 3-Methylellagic acid 8-(3-acetylrhamnoside) 56 60 0 0 0 0 0 0 0 0999 V2000 7.0840 -0.4072 2.3564 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8312 -0.9175 1.0404 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5093 -1.2152 0.7197 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0248 -2.4859 0.9715 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8815 -3.4311 1.5413 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7258 -2.7784 0.6563 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8960 -1.8425 0.0979 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5788 -2.0837 -0.2392 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1319 -3.2307 -0.0149 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7997 -1.1496 -0.7809 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2458 0.0554 -1.0238 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4173 1.0290 -1.5937 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8820 0.7090 -1.8997 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9766 0.8547 -1.0156 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9503 1.6065 -1.6584 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0771 1.8286 -0.9181 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0583 2.6021 -1.7729 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7643 0.5661 -0.4588 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6516 0.9481 0.5678 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7156 -0.3112 0.1768 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2221 -1.4635 0.7605 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1473 -1.7444 2.1088 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6952 -2.9836 2.7165 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 -0.8619 2.7997 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6211 -0.5312 -0.8308 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0910 -0.8745 -2.0870 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8941 2.2950 -1.8468 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0642 3.2473 -2.4113 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2176 2.5981 -1.5273 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0328 1.6223 -0.9607 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3455 1.8836 -0.6314 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7797 3.0366 -0.8616 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1445 0.9673 -0.0889 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7156 -0.2456 0.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4009 -0.5765 -0.1460 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5537 0.3534 -0.7077 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6517 0.6102 2.4455 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1787 -0.3244 2.4549 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6760 -1.1055 3.1156 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8394 -3.2060 1.7708 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3356 -3.7770 0.8512 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6621 1.2637 -0.0465 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9005 2.4469 -0.0021 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5365 1.8725 -2.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8815 3.0444 -1.1709 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5432 3.3850 -2.3663 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3539 0.0692 -1.2243 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0873 1.1177 1.3634 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2642 0.2946 0.9942 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1998 -3.2566 3.6475 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4847 -3.8059 1.9734 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7870 -2.9508 2.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9189 -1.2878 -0.4923 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6226 -0.1796 -2.5165 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8770 3.0734 -2.6555 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5879 3.5849 -1.7249 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 4 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 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 16 18 1 0 18 19 1 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 22 24 2 0 20 25 1 0 25 26 1 0 12 27 2 0 27 28 1 0 27 29 1 0 29 30 2 0 30 31 1 0 31 32 2 0 31 33 1 0 33 34 1 0 34 35 2 0 35 36 1 0 34 3 1 0 35 7 1 0 36 11 2 0 25 14 1 0 36 30 1 0 1 37 1 0 1 38 1 0 1 39 1 0 5 40 1 0 6 41 1 0 14 42 1 0 16 43 1 0 17 44 1 0 17 45 1 0 17 46 1 0 18 47 1 0 19 48 1 0 20 49 1 0 23 50 1 0 23 51 1 0 23 52 1 0 25 53 1 0 26 54 1 0 28 55 1 0 29 56 1 0 M END