HMDB0240528 RDKit 3D Homovanillyl alcohol sulfate 28 28 0 0 0 0 0 0 0 0999 V2000 -1.0513 -2.8701 1.2666 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6664 -1.8821 0.4673 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8701 -0.9379 -0.1602 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4983 -0.9526 -0.0146 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2684 -0.0089 -0.6444 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7634 0.0054 -0.5060 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0841 0.8748 0.6809 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4581 0.9068 0.8335 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7069 0.9720 -1.4330 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6539 0.9964 -1.5852 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4266 0.0496 -0.9533 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8071 0.0915 -1.1206 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8439 0.9565 -0.1136 S 0 0 0 0 0 6 0 0 0 0 0 0 -5.1597 1.1082 -0.8210 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1202 0.1551 1.1390 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2200 2.4281 0.3681 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5288 -3.5662 0.5636 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3124 -2.4398 1.9578 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8524 -3.4144 1.8300 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0067 -1.6958 0.5911 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0619 -1.0473 -0.3526 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1757 0.4238 -1.4270 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6732 1.8918 0.4792 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6152 0.5277 1.6077 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6344 1.0610 1.8054 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3614 1.7074 -1.9185 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0953 1.7767 -2.2121 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6997 2.8823 -0.3281 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 1 0 7 8 1 0 5 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 3 1 0 1 17 1 0 1 18 1 0 1 19 1 0 4 20 1 0 6 21 1 0 6 22 1 0 7 23 1 0 7 24 1 0 8 25 1 0 9 26 1 0 10 27 1 0 16 28 1 0 M END