Mol:PR100850
From Metabolomics.JP
ISISHOST03240423132D 1 1.00000 0.00000 4963 11 11 0 0 0 999 V2000 -0.1931 -0.3448 0.0000 C 0 0 0 0 0 0 0 0 0 -0.1862 0.4862 0.0000 C 0 0 0 0 0 0 0 0 0 -0.9172 -0.7517 0.0000 C 0 0 0 0 0 0 0 0 0 0.5172 -0.7586 0.0000 C 0 0 0 0 0 0 0 0 0 -0.9034 0.9069 0.0000 C 0 0 0 0 0 0 0 0 0 0.5241 0.9069 0.0000 O 0 0 0 0 0 0 0 0 0 -1.6276 -0.3345 0.0000 C 0 0 0 0 0 0 0 0 0 1.2345 -0.3414 0.0000 C 0 0 0 0 0 0 0 0 0 -1.6207 0.4966 0.0000 C 0 0 0 0 0 0 0 0 0 1.9448 -0.7586 0.0000 O 0 0 0 0 0 0 0 0 0 1.2276 0.4897 0.0000 O 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 2 0 0 0 1 4 1 0 0 0 2 5 2 0 0 0 2 6 1 0 0 0 3 7 1 0 0 0 4 8 1 0 0 0 5 9 1 0 0 0 8 10 1 0 0 0 8 11 2 0 0 0 7 9 2 0 0 0 S SKP 7 CAS_RN 614-75-5 NAME 2-Hydroxyphenylacetic acid ID PR100850 FORMULA C8H8O3 EXACTMASS 152.047344122 AVERAGEMASS 152.14731999999998 SMILES OC(=O)Cc(c1)c(O)ccc1 M END