{"id":31240,"npaid":"NPA031240","original_name":"1,8-Cineole","mol_formula":"C10H18O","mol_weight":"154.2530","exact_mass":"154.1358","inchikey":"WEEGYLXZBRQIMU-UHFFFAOYSA-N","smiles":"CC12CCC(CC1)C(C)(C)O2","cluster_id":9094,"node_id":6113,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C10H18O/c1-9(2)8-4-6-10(3,11-9)7-5-8/h8H,4-7H2,1-3H3","m_plus_h":"155.1431","m_plus_na":"177.1250","origin_reference":{"doi":"10.1002/cbic.201100641","pmid":22213220,"authors":"Christian A. Citron, Julia Gleitzmann, Gianfranco Laurenzano, Rüdiger Pukall, Jeroen S. 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They contain at least one carbon atom and heteroatom."}],"molecular_framework":"Aliphatic heteropolycyclic compounds","external_descriptors":[{"source":"KEGG","source_id":"C09844","annotations":["Menthane monoterpenoids","Cyclic monoterpenes"]},{"source":"LIPID MAPS","source_id":"LMPR0102090019","annotations":["Menthane monoterpenoids"]},{"source":"META CYC","source_id":"CPD-4261","annotations":["a monoterpenoid"]}],"predicted_chebi_terms":["oxacycle (CHEBI:38104)","ether (CHEBI:25698)","organic molecule (CHEBI:72695)","oxanes (CHEBI:46942)","chemical entity (CHEBI:24431)","organic heterocyclic compound (CHEBI:24532)","oxygen molecular entity (CHEBI:25806)","organic molecular entity (CHEBI:50860)","organooxygen compound (CHEBI:36963)"],"classification_version":"2.1","predicted_lipidmaps_terms":[]},"npclassifier":{"isglycoside":false,"class_results":["Menthane monoterpenoids","Monocyclic monoterpenoids"],"pathway_results":["Terpenoids"],"superclass_results":["Monoterpenoids"]}}