HMDB0034620 RDKit 3D cis-Coutaric acid 33 33 0 0 0 0 0 0 0 0999 V2000 -0.0071 -0.2043 0.3951 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3197 -0.1791 -0.7950 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4807 -0.1999 -1.9843 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7650 -0.2002 -2.0345 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6903 -0.1607 -0.9519 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6357 0.4020 0.2751 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5910 0.2376 1.2798 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6815 -0.5392 1.0469 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6363 -0.7053 2.0473 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8014 -1.1402 -0.1867 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8535 -0.9676 -1.1563 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7492 -0.1188 -0.9420 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5816 -0.0956 0.1974 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5038 -1.2639 0.2089 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3371 -1.4525 1.1277 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4347 -2.1639 -0.8265 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4061 1.1975 0.1034 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1645 1.2070 -1.0495 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2679 1.3294 1.3017 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5060 1.4278 1.1444 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7674 1.3489 2.5908 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0690 -0.2185 -2.9882 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2102 -0.2293 -3.1004 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8565 1.1012 0.5072 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4648 0.7240 2.2357 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5216 -0.2518 2.9429 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6773 -1.7525 -0.3511 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9962 -1.4609 -2.1061 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0113 -0.1282 1.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2549 -2.5837 -1.2663 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7285 2.0755 0.0845 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9955 2.0111 -1.6089 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7719 1.4670 2.7221 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 8 10 1 0 10 11 2 0 2 12 1 0 12 13 1 0 13 14 1 0 14 15 2 0 14 16 1 0 13 17 1 0 17 18 1 0 17 19 1 0 19 20 2 0 19 21 1 0 11 5 1 0 3 22 1 0 4 23 1 0 6 24 1 0 7 25 1 0 9 26 1 0 10 27 1 0 11 28 1 0 13 29 1 0 16 30 1 0 17 31 1 0 18 32 1 0 21 33 1 0 M END