HMDB0303060 RDKit 3D cis-Caftaric acid 34 34 0 0 0 0 0 0 0 0999 V2000 -1.0459 2.1702 -2.3130 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2576 1.3282 -1.7208 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8983 0.9766 -2.4858 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8445 0.1470 -2.2195 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9551 -0.6683 -1.0492 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9586 -1.1955 -0.2974 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1982 -1.8742 0.9104 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4646 -2.0338 1.3776 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6705 -2.7102 2.5766 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5062 -1.5146 0.6387 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8211 -1.6625 1.0891 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2592 -0.8592 -0.5265 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7225 0.9904 -0.5058 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8603 1.3981 0.1535 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.5930 2.1556 1.4022 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5113 2.6036 2.1301 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2850 2.3780 1.7810 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8503 0.3166 0.4767 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.9220 0.9265 1.1370 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4053 -0.2789 -0.7673 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6643 -0.9124 -1.5928 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7447 -0.1921 -1.1175 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9920 1.5165 -3.4815 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6470 0.0832 -3.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0620 -1.1917 -0.6325 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3504 -2.2630 1.4535 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5438 -2.8843 3.0094 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0893 -2.1237 1.9230 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0568 -0.4423 -1.1274 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4053 2.1228 -0.5231 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0960 1.8421 2.5619 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4586 -0.4445 1.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3161 1.6174 0.5515 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2475 0.6787 -1.1848 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 1 0 10 12 2 0 2 13 1 0 13 14 1 0 14 15 1 0 15 16 2 0 15 17 1 0 14 18 1 0 18 19 1 0 18 20 1 0 20 21 2 0 20 22 1 0 12 5 1 0 3 23 1 0 4 24 1 0 6 25 1 0 7 26 1 0 9 27 1 0 11 28 1 0 12 29 1 0 14 30 1 6 17 31 1 0 18 32 1 1 19 33 1 0 22 34 1 0 M END