HMDB0041395 RDKit 3D 2,3-Di-O-methylellagic acid 34 37 0 0 0 0 0 0 0 0999 V2000 -4.2995 2.1910 1.0158 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7406 0.9386 0.7279 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3923 0.6972 0.5444 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4259 1.6619 0.6220 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0851 1.3738 0.4307 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9037 2.3042 0.4996 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5584 3.5032 0.7556 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1712 2.0154 0.3158 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5695 0.8003 0.0514 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8957 0.4669 -0.1468 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8785 1.4581 -0.0660 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2368 -0.8409 -0.4223 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5746 -1.1936 -0.6251 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2645 -1.8166 -0.5013 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9375 -1.5007 -0.3063 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9286 -2.4387 -0.3746 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3238 -3.6247 -0.6333 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3407 -2.1762 -0.1954 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6915 -0.9471 0.0667 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0350 -0.6053 0.2682 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9621 -1.6203 0.1773 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6086 -1.9872 -1.0227 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2531 0.0660 0.1554 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6108 -0.1988 -0.0333 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3594 2.1677 0.6396 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7251 3.0376 0.6146 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3929 2.2610 2.1303 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7115 2.6804 0.8386 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6222 2.4018 0.1339 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8606 -2.1294 -0.8267 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5044 -2.8409 -0.7143 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9714 -2.6085 -1.6855 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7752 -1.0221 -1.5849 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5773 -2.4738 -0.8494 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 10 12 2 0 12 13 1 0 12 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 16 18 1 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 1 0 19 23 1 0 23 24 1 0 20 3 1 0 23 5 2 0 24 9 2 0 24 15 1 0 1 25 1 0 1 26 1 0 1 27 1 0 4 28 1 0 11 29 1 0 13 30 1 0 14 31 1 0 22 32 1 0 22 33 1 0 22 34 1 0 M END