HMDB0002085 RDKit 3D Syringic acid 24 24 0 0 0 0 0 0 0 0999 V2000 -3.2851 -0.8299 1.3369 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9585 -1.2654 1.4298 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9314 -0.6758 0.7202 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1722 0.3831 -0.1231 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1271 0.9751 -0.8385 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3647 2.0947 -1.7336 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5997 2.5923 -2.3527 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6243 2.6383 -1.9317 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1495 0.4996 -0.7014 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4083 -0.5526 0.1325 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6927 -1.0171 0.2587 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7912 -0.4612 -0.4373 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3612 -1.1303 0.8362 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6469 -2.1787 1.6614 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5252 -0.6463 0.2746 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9691 -1.6389 1.7257 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5098 0.0579 1.9544 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1652 0.7801 -0.2526 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1732 2.9800 -1.1505 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9647 0.9716 -1.2680 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8630 0.6432 -0.2377 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6950 -0.6763 -1.5084 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7098 -0.9175 0.0172 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0762 -2.6259 2.1880 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 0 6 8 1 0 5 9 2 0 9 10 1 0 10 11 1 0 11 12 1 0 10 13 2 0 13 14 1 0 13 3 1 0 1 15 1 0 1 16 1 0 1 17 1 0 4 18 1 0 8 19 1 0 9 20 1 0 12 21 1 0 12 22 1 0 12 23 1 0 14 24 1 0 M END