HMDB0037079 RDKit 3D 3-Methylellagic acid 8-rhamnoside 51 55 0 0 0 0 0 0 0 0999 V2000 -7.1466 0.9448 0.7784 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0829 1.8022 0.4830 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8084 1.4843 0.9255 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3526 1.9209 2.1697 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2106 2.6709 2.9303 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0761 1.5775 2.5629 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2588 0.8222 1.7576 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9795 0.4608 2.1170 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5758 0.8620 3.2476 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2218 -0.2601 1.3292 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6259 -0.6816 0.1582 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1644 -1.4408 -0.6772 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4355 -1.7703 -0.2621 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5822 -0.9908 -0.5140 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1747 -0.5087 0.6265 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4085 0.0255 0.3829 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5171 1.3040 1.2174 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7116 0.3881 -1.0286 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0982 0.6637 -1.0935 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4462 -0.6961 -2.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6225 -0.2434 -3.0754 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6257 -1.7685 -1.2954 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4481 -2.4837 -0.4054 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2717 -1.8747 -1.8985 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5644 -2.6494 -2.7258 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5506 -1.5241 -2.2788 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3857 -0.7635 -1.4786 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6650 -0.4206 -1.8746 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0543 -0.8293 -3.0075 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4263 0.3041 -1.0831 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9971 0.7173 0.0923 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7395 0.4101 0.5407 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8960 -0.3525 -0.2573 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8680 0.8974 -0.0746 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6704 1.2164 1.7084 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7489 -0.0792 0.9290 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9574 3.0243 3.8404 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7080 1.9095 3.5271 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2399 -0.0903 -1.1023 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2579 -0.6194 0.7489 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2622 1.0008 2.2610 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5394 1.7020 1.2369 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7562 2.0507 0.9138 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1753 1.3072 -1.3719 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2635 1.5982 -0.8288 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3456 -1.1382 -2.4742 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1555 0.5919 -2.8161 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2075 -2.4967 -1.9875 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9466 -3.1542 -0.9716 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2488 -2.9711 -3.6238 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9195 -1.8493 -3.2287 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 20 22 1 0 22 23 1 0 12 24 2 0 24 25 1 0 24 26 1 0 26 27 2 0 27 28 1 0 28 29 2 0 28 30 1 0 30 31 1 0 31 32 2 0 32 33 1 0 31 3 1 0 32 7 1 0 33 11 2 0 22 14 1 0 33 27 1 0 1 34 1 0 1 35 1 0 1 36 1 0 5 37 1 0 6 38 1 0 14 39 1 0 16 40 1 0 17 41 1 0 17 42 1 0 17 43 1 0 18 44 1 0 19 45 1 0 20 46 1 0 21 47 1 0 22 48 1 0 23 49 1 0 25 50 1 0 26 51 1 0 M END