HMDB0001895 RDKit 3D Salicylic acid 16 16 0 0 0 0 0 0 0 0999 V2000 -2.6574 0.9644 -0.1551 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0489 -0.1207 0.0234 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7988 -1.2480 0.2387 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5771 -0.1402 -0.0049 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1224 -1.3130 0.1871 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 -1.3373 0.1617 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1840 -0.1621 -0.0607 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4860 1.0109 -0.2528 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1086 1.0339 -0.2271 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5897 2.2413 -0.4252 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5489 -1.3137 0.9408 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4617 -2.2300 0.3617 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0355 -2.2754 0.3158 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2717 -0.1472 -0.0868 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0259 1.9549 -0.4311 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0516 3.0823 -0.5854 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 9 4 1 0 3 11 1 0 5 12 1 0 6 13 1 0 7 14 1 0 8 15 1 0 10 16 1 0 M END