HMDB0253236 RDKit 3D Hydrangeic acid 31 32 0 0 0 0 0 0 0 0999 V2000 -3.4502 -0.0997 -2.1343 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4634 -0.2559 -1.3556 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2859 -0.5774 -1.9821 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6312 -0.1065 0.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9188 0.2001 0.5406 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9887 0.5217 -0.2375 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1691 0.1880 1.9315 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2006 -0.1099 2.8339 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9597 -0.3984 2.3780 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6460 -0.3981 0.9855 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2486 -0.4621 0.6588 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4552 0.1876 -0.2165 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8700 0.0319 -0.4683 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4965 0.7872 -1.4335 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8440 0.6558 -1.6910 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6127 -0.2380 -0.9898 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9716 -0.3826 -1.2370 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0056 -1.0019 -0.0214 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6419 -0.8579 0.2277 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1985 -1.2508 -2.7321 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0997 0.6175 -1.1698 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1636 0.4235 2.2899 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3710 -0.1293 3.9163 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1679 -0.6391 3.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3107 -1.2108 1.2755 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0219 1.0046 -0.7922 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9549 1.5170 -2.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3059 1.2740 -2.4661 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6632 0.1626 -0.7518 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6234 -1.7018 0.5229 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2291 -1.4837 0.9964 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 2 4 1 0 4 5 2 0 5 6 1 0 5 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 3 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 16 18 1 0 18 19 2 0 10 4 1 0 19 13 1 0 3 20 1 0 6 21 1 0 7 22 1 0 8 23 1 0 9 24 1 0 11 25 1 0 12 26 1 0 14 27 1 0 15 28 1 0 17 29 1 0 18 30 1 0 19 31 1 0 M END