{"id":32537,"npaid":"NPA032537","original_name":"Orcinol","mol_formula":"C7H8O2","mol_weight":"124.1390","exact_mass":"124.0524","inchikey":"OIPPWFOQEKKFEE-UHFFFAOYSA-N","smiles":"CC1=CC(O)=CC(O)=C1","cluster_id":9444,"node_id":6327,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C7H8O2/c1-5-2-6(8)4-7(9)3-5/h2-4,8-9H,1H3","m_plus_h":"125.0597","m_plus_na":"147.0416","origin_reference":{"doi":"10.1080/14786419.2017.1385020","pmid":29027474,"authors":"Masi, Marco; Zonno, Maria Chiara; Cimmino, Alessio; Reveglia, Pierluigi; Berestetskiy, Alexander; Boari, Angela; Vurro, Maurizio; Evidente, Antonio","title":"On the metabolites produced by Colletotrichum gloeosporioides a fungus proposed for the Ambrosia artemisiifolia biocontrol; spectroscopic data and absolute configuration assignment of colletochlorin A.","journal":"Natural Product 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groups attached to a benzene ring."},"ancestors":["1-hydroxy-2-unsubstituted benzenoids","1-hydroxy-4-unsubstituted benzenoids","Benzene and substituted derivatives","Benzenediols","Benzenoids","Chemical entities","Cresols","Hydrocarbon derivatives","Meta cresols","Organic compounds","Organic oxygen compounds","Organooxygen compounds","Phenols","Resorcinols","Toluenes"],"superclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0002448","name":"Benzenoids","chemont_id":"CHEMONTID:0002448","description":"Aromatic compounds containing one or more benzene rings."},"description":"This compound belongs to the class of organic compounds known as resorcinols. 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They contain at least one carbon atom and heteroatom."}],"molecular_framework":"Aromatic homomonocyclic compounds","external_descriptors":[{"source":"CHEBI","source_id":"CHEBI:16536","annotations":["5-alkylresorcinol","dihydroxytoluene"]},{"source":"META CYC","source_id":"ORCINOL-CPD","annotations":["a phenol"]}],"predicted_chebi_terms":["hydroxytoluene (CHEBI:24751)","toluenes (CHEBI:27024)","phenols (CHEBI:33853)","organooxygen compound (CHEBI:36963)","organic molecule (CHEBI:72695)","resorcinols (CHEBI:33572)","chemical entity (CHEBI:24431)","benzenoid aromatic compound (CHEBI:33836)","methoxybenzene (CHEBI:51683)","benzenes (CHEBI:22712)","oxygen molecular entity (CHEBI:25806)","organic molecular entity (CHEBI:50860)","benzenediols (CHEBI:33570)"],"classification_version":"2.1","predicted_lipidmaps_terms":[]},"npclassifier":{"isglycoside":false,"class_results":[],"pathway_results":[],"superclass_results":[]}}