HMDB0125166 RDKit 3D p-Coumaric acid sulfate 24 24 0 0 0 0 0 0 0 0999 V2000 -5.2231 -1.3698 -1.3798 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5292 -0.5690 -0.7037 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1904 0.4481 -0.0526 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0801 -0.7482 -0.6392 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3261 0.0585 0.0492 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8913 0.0016 0.2009 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2089 0.9253 0.9649 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1611 0.8942 1.1266 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8238 -0.1205 0.4774 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2163 -0.1916 0.6130 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2462 0.6051 -0.4581 S 0 0 0 0 0 6 0 0 0 0 0 0 5.2121 1.4242 0.3449 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4612 1.4617 -1.4097 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0925 -0.5242 -1.3780 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2057 -1.0678 -0.2951 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1791 -0.9890 -0.4241 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9197 1.4096 -0.0454 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6214 -1.5586 -1.1671 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8647 0.8728 0.5693 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7884 1.7003 1.4510 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6986 1.6178 1.7255 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5934 -0.6845 -2.2178 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7493 -1.8651 -0.8022 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6376 -1.7310 -1.0257 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 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 11 12 2 0 11 13 2 0 11 14 1 0 9 15 1 0 15 16 2 0 16 6 1 0 3 17 1 0 4 18 1 0 5 19 1 0 7 20 1 0 8 21 1 0 14 22 1 0 15 23 1 0 16 24 1 0 M END