HMDB0041396 RDKit 3D 2,8-Di-O-methylellagic acid 34 37 0 0 0 0 0 0 0 0999 V2000 5.6705 0.2799 -1.1553 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4289 0.2321 -0.8268 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1756 0.1827 -0.4988 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2020 -0.2600 -1.4155 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9009 -0.2971 -1.0338 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1148 -0.7271 -1.8982 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2090 -1.0855 -3.0587 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3688 -0.7638 -1.5328 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7853 -0.4026 -0.3294 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0959 -0.4466 0.0362 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0608 -0.8801 -0.8574 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6728 0.1118 -1.6933 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4593 -0.0563 1.3041 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7914 -0.0935 1.6972 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5319 0.3834 2.2296 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2059 0.4302 1.8667 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2111 0.8559 2.7264 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6089 1.2054 3.8890 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0479 0.9024 2.3875 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4134 0.5250 1.1564 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7312 0.5658 0.7788 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6596 1.0118 1.7224 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5041 0.0863 0.2268 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8380 0.0346 0.5817 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9132 1.1254 -1.8709 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4371 0.4102 -0.3221 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9819 -0.6550 -1.7443 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4720 -0.5689 -2.4125 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4857 -0.3394 -2.3038 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8704 0.5314 -2.3459 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0188 0.9439 -1.0557 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4871 -0.4045 1.0574 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7955 0.6959 3.2346 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6551 1.0506 1.4604 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 6 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 10 13 2 0 13 14 1 0 13 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 17 19 1 0 19 20 1 0 20 21 2 0 21 22 1 0 20 23 1 0 23 24 1 0 21 3 1 0 23 5 2 0 24 9 2 0 24 16 1 0 1 25 1 0 1 26 1 0 1 27 1 0 4 28 1 0 12 29 1 0 12 30 1 0 12 31 1 0 14 32 1 0 15 33 1 0 22 34 1 0 M END