{"id":1129,"npaid":"NPA001129","original_name":"Sarcographol","mol_formula":"C15H24O3","mol_weight":"252.3540","exact_mass":"252.1725","inchikey":"AFLFYVGFIJZIKQ-MMKLUXSESA-N","smiles":"C[C@H]1[C@@H](CCC2=C[C@H]3[C@@H](C[C@]12C)[C@](CO3)(C)O)O","cluster_id":772,"node_id":596,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C15H24O3/c1-9-12(16)5-4-10-6-13-11(7-14(9,10)2)15(3,17)8-18-13/h6,9,11-13,16-17H,4-5,7-8H2,1-3H3/t9-,11+,12+,13-,14+,15+/m0/s1","m_plus_h":"253.1798","m_plus_na":"275.1617","origin_reference":{"doi":"10.1016/j.phytochem.2012.01.009","pmid":22285621,"authors":"Le, Duy Hoang; Takenaka, Yukiko; Hamada, Nobuo; Tanahashi, Takao","title":"Eremophilane-type sesquiterpenes from cultured lichen mycobionts of Sarcographa tricosa","journal":"Phytochemistry","year":2013,"volume":"91","issue":null,"pages":"242-248"},"origin_organism":{"id":877,"type":"Fungus","genus":"Sarcographa","species":"tricosa","taxon":{"id":840,"name":"Sarcographa","rank":"genus","taxon_db":"mycobank","external_id":"4847","ncbi_id":377369,"ancestors":[{"id":599,"name":"Eukarya","rank":"domain","taxon_db":"mycobank","external_id":"0","ncbi_id":2759},{"id":600,"name":"Fungi","rank":"kingdom","taxon_db":"mycobank","external_id":"90157","ncbi_id":4751},{"id":617,"name":"Ascomycota","rank":"phylum","taxon_db":"mycobank","external_id":"90031","ncbi_id":4890},{"id":787,"name":"Lecanoromycetes","rank":"class","taxon_db":"mycobank","external_id":"501486","ncbi_id":147547},{"id":835,"name":"Ostropales","rank":"order","taxon_db":"mycobank","external_id":"90490","ncbi_id":38074},{"id":836,"name":"Graphidaceae","rank":"family","taxon_db":"mycobank","external_id":"80816","ncbi_id":71598}]}},"syntheses":[],"reassignments":[],"mol_structures":[{"current_structure":true,"reference_doi":"10.1016/j.phytochem.2012.01.009","structure_smiles":"C[C@H]1[C@@H](CCC2=C[C@H]3[C@@H](C[C@]12C)[C@](CO3)(C)O)O","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"npmrd","external_db_code":"NP0010616"}],"classyfire":{"class":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001634","name":"Naphthofurans","chemont_id":"CHEMONTID:0001634","description":"Compounds containing a furan ring fused to a naphthalene moiety. 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These are compounds containing a furan ring fused to a naphthalene moiety. Furan is a 5 membered- ring aromatic ring with four carbon and one oxygen atoms. Naphthalene is a polycyclic aromatic hydrocarbon  made up of two fused benzene rings.","substituents":["Naphthofuran","Tetrahydrofuran","Tertiary alcohol","Cyclic alcohol","Secondary alcohol","Oxacycle","Ether","Dialkyl ether","Organic oxygen compound","Hydrocarbon derivative","Organooxygen compound","Alcohol","Aliphatic heteropolycyclic compound"],"direct_parent":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001634","name":"Naphthofurans","chemont_id":"CHEMONTID:0001634","description":"Compounds containing a furan ring fused to a naphthalene moiety. Furan is a 5 membered- ring aromatic ring with four carbon and one oxygen atoms. 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They contain at least one carbon atom and heteroatom."}],"molecular_framework":"Aliphatic heteropolycyclic compounds","external_descriptors":[],"predicted_chebi_terms":["oxolanes (CHEBI:26912)","tertiary alcohol (CHEBI:26878)","secondary alcohol (CHEBI:35681)","organic hydroxy compound (CHEBI:33822)","oxacycle (CHEBI:38104)","ether (CHEBI:25698)","organic molecule (CHEBI:72695)","naphthofuran (CHEBI:39270)","chemical entity (CHEBI:24431)","organic heterocyclic compound (CHEBI:24532)","oxygen molecular entity (CHEBI:25806)","organic molecular entity (CHEBI:50860)","organooxygen compound (CHEBI:36963)","polyol (CHEBI:26191)","alcohol (CHEBI:30879)"],"classification_version":"2.1","predicted_lipidmaps_terms":[]},"npclassifier":{"isglycoside":false,"class_results":["Eremophilane sesquiterpenoids"],"pathway_results":["Terpenoids"],"superclass_results":["Sesquiterpenoids"]}}