HMDB0029200 RDKit 3D Ferulic acid 4-O-sulfate 28 28 0 0 0 0 0 0 0 0999 V2000 -1.2405 2.8053 0.7623 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8557 1.5387 0.6561 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0817 0.4174 0.4536 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2935 0.5658 0.3588 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1206 -0.5085 0.1578 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5586 -0.4237 0.0499 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2025 0.7116 0.1374 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6526 0.7014 0.0168 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2772 1.7761 0.0984 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3283 -0.4803 -0.1851 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4792 -1.7500 0.0569 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8802 -1.9122 0.1487 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6868 -0.8136 0.3510 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0651 -0.9669 0.4454 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0647 -0.8843 -0.9521 S 0 0 0 0 0 6 0 0 0 0 0 0 -4.8918 0.3841 -0.9120 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1850 -0.8917 -2.1505 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0730 -2.2260 -0.9079 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7102 3.0036 -0.1984 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4441 2.8202 1.5484 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0077 3.5806 0.9725 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7285 1.5594 0.4460 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1341 -1.3507 -0.1122 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6763 1.6177 0.2929 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6302 -0.8088 -1.0811 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1188 -2.6059 -0.1017 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3387 -2.8928 0.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6753 -2.9667 -0.4169 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 7 8 1 0 8 9 2 0 8 10 1 0 5 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 2 0 15 17 2 0 15 18 1 0 13 3 1 0 1 19 1 0 1 20 1 0 1 21 1 0 4 22 1 0 6 23 1 0 7 24 1 0 10 25 1 0 11 26 1 0 12 27 1 0 18 28 1 0 M END