HMDB0240710 RDKit 3D cis-p-Coumaric acid sulfate 24 24 0 0 0 0 0 0 0 0999 V2000 2.8277 1.7793 -0.3138 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6250 0.8452 -0.3654 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9973 1.2801 -0.4318 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4646 -0.5691 -0.3724 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3679 -1.2070 -0.2744 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0460 -0.7031 -0.1165 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5988 0.4103 0.4994 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7221 0.8367 0.4548 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6980 0.1507 -0.2250 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0232 0.5237 -0.3054 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2350 0.0683 0.7524 S 0 0 0 0 0 6 0 0 0 0 0 0 -3.7473 -0.3972 2.0813 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0625 -1.0372 0.1123 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2985 1.3837 0.9117 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2629 -0.9954 -0.8598 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0298 -1.4217 -0.8242 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4103 1.5971 0.4379 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4333 -1.1475 -0.4786 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4599 -2.3338 -0.3142 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2991 0.9683 1.1455 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9978 1.7437 0.9741 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8452 2.1562 1.3174 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9928 -1.5923 -1.4203 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3257 -2.3390 -1.3446 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