{"id":17203,"npaid":"NPA017203","original_name":"3-Methylorsellinic acid","mol_formula":"C9H10O4","mol_weight":"182.1750","exact_mass":"182.0579","inchikey":"VHNLJRRECIZZPX-UHFFFAOYSA-N","smiles":"CC1=CC(=C(C(=C1C(=O)O)O)C)O","cluster_id":46,"node_id":11,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C9H10O4/c1-4-3-6(10)5(2)8(11)7(4)9(12)13/h3,10-11H,1-2H3,(H,12,13)","m_plus_h":"183.0652","m_plus_na":"205.0471","origin_reference":{"doi":"10.1021/ja3016395","pmid":22510154,"authors":"Ahuja, Manmeet; Chiang, Yi-Ming; Chang, Shu-Lin; Praseuth, Mike B.; Entwistle, Ruth; Sanchez, James F.; Lo, Hsien-Chun; Yeh, Hsu-Hua; Oakley, Berl R.; Wang, Clay C. 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