HMDB0029783 RDKit 3D Mono-trans-p-coumaroylmesotartaric acid 36 36 0 0 0 0 0 0 0 0999 V2000 4.4501 -1.0156 0.5401 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0472 -0.0989 1.2897 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0335 -0.3501 2.6522 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6023 1.1985 0.7680 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6315 1.3265 -0.7223 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2003 2.6068 -1.1265 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7151 0.3468 -1.4178 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3751 0.5160 -1.0737 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5503 -0.4757 -0.5737 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0459 -1.6176 -0.4169 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8648 -0.2029 -0.2351 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6509 -1.1403 0.2395 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0554 -0.9375 0.5934 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7168 0.2572 0.4708 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0399 0.4502 0.8036 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7382 -0.6325 1.2909 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0863 -0.4418 1.6315 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1339 -1.8625 1.4393 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8108 -2.0066 1.0936 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9403 0.5581 -2.8938 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9281 0.8449 -3.5749 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2000 0.4373 -3.4436 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7478 -1.2661 2.9605 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5425 1.4347 1.0876 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2002 2.0030 1.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6695 1.1956 -1.0739 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7762 3.0215 -0.3383 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0345 -0.6935 -1.2367 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2714 0.7837 -0.3768 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1978 -2.1379 0.3707 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1825 1.1146 0.0904 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5353 1.4135 0.6939 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2701 -0.1590 2.5843 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7176 -2.6887 1.8258 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2936 -2.9539 1.1929 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8750 1.1719 -3.4981 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 1 0 5 6 1 0 5 7 1 0 7 8 1 0 8 9 1 0 9 10 2 0 9 11 1 0 11 12 2 0 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 7 20 1 0 20 21 2 0 20 22 1 0 19 13 1 0 3 23 1 0 4 24 1 0 4 25 1 0 5 26 1 0 6 27 1 0 7 28 1 0 11 29 1 0 12 30 1 0 14 31 1 0 15 32 1 0 17 33 1 0 18 34 1 0 19 35 1 0 22 36 1 0 M END