HMDB0240716 RDKit 3D cis-Ferulic acid 4-sulfate 28 28 0 0 0 0 0 0 0 0999 V2000 -1.3418 -3.1435 0.9765 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9394 -2.0537 0.2743 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0908 -1.0415 -0.1554 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2533 -1.0454 0.0598 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1350 -0.0269 -0.3681 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5367 -0.1314 -0.0877 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6113 0.4886 -0.2629 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9981 1.6943 -0.8734 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2875 2.5063 -1.4384 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4027 2.0633 -0.8564 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5354 0.9986 -1.0348 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8496 1.0631 -1.2903 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6286 0.0238 -0.8345 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0005 0.0349 -1.0581 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1201 0.7179 0.0028 S 0 0 0 0 0 6 0 0 0 0 0 0 -3.7422 0.5427 1.4423 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4384 -0.0135 -0.1990 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3190 2.3602 -0.3714 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9038 -2.6875 1.9119 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5109 -3.5886 0.3855 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0950 -3.8917 1.2598 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6606 -1.8898 0.5951 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7522 -1.1292 0.5023 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5294 -0.0644 0.1907 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9208 1.7238 -1.6481 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0683 1.8345 -1.4163 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2664 1.9032 -1.8247 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4447 2.7520 -0.6213 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 3 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