HMDB0240549 RDKit 3D O-Coumaric acid sulfate 24 24 0 0 0 0 0 0 0 0999 V2000 1.4944 -3.3720 -0.5603 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3555 -2.5184 -0.2828 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6691 -2.8303 -0.0749 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9302 -1.1229 -0.1776 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6830 -0.7622 -0.3664 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2496 0.6160 -0.2650 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0931 1.6688 0.0355 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5527 2.9480 0.1035 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7747 3.2285 -0.1112 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5982 2.1642 -0.4094 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1094 0.8799 -0.4878 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9292 -0.1944 -0.7867 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7412 -1.0996 0.3904 S 0 0 0 0 0 6 0 0 0 0 0 0 -2.3841 -0.6845 1.7756 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2355 -0.9708 0.1511 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3825 -2.7352 0.2383 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4459 -2.2237 -0.3196 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6568 -0.3678 0.0612 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0114 -1.5553 -0.6041 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1471 1.5002 0.2131 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2540 3.7544 0.3441 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1580 4.2545 -0.0471 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6611 2.3068 -0.5922 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5461 -2.8845 0.7768 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 3 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 13 14 2 0 13 15 2 0 13 16 1 0 11 6 1 0 3 17 1 0 4 18 1 0 5 19 1 0 7 20 1 0 8 21 1 0 9 22 1 0 10 23 1 0 16 24 1 0 M END