{"id":12765,"npaid":"NPA012765","original_name":"Chondrosterin I","mol_formula":"C15H20O3","mol_weight":"248.3220","exact_mass":"248.1412","inchikey":"APVSRGRSDSBWMN-FTGAXOIBSA-N","smiles":"C[C@]12CCC(=C1[C@@H]3CC(C[C@@H]3C2=O)(C)C)C(=O)O","cluster_id":4750,"node_id":28,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C15H20O3/c1-14(2)6-9-10(7-14)12(16)15(3)5-4-8(11(9)15)13(17)18/h9-10H,4-7H2,1-3H3,(H,17,18)/t9-,10+,15+/m1/s1","m_plus_h":"249.1485","m_plus_na":"271.1304","origin_reference":{"doi":"10.3390/md12010167","pmid":24402176,"authors":"Li, Hou-Jin; Jiang, Wen-Han; Liang, Wan-Ling; Huang, Jia-Xin; Mo, Yu-Fei; Ding, Yan-Qing; Lam, Chi-Keung; Qian, Xiao-Jun; Zhu, Xiao-Feng; Lan, Wen-Jian","title":"Induced Marine Fungus Chondrostereum sp. as a Means of Producing New Sesquiterpenoids Chondrosterins I and J by Using Glycerol as the Carbon Source","journal":"Marine Drugs","year":2014,"volume":"12","issue":"1","pages":"167-175"},"origin_organism":{"id":579,"type":"Fungus","genus":"Chondrostereum","species":"sp.","taxon":{"id":1422,"name":"Chondrostereum","rank":"genus","taxon_db":"mycobank","external_id":"17295","ncbi_id":58368,"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":1365,"name":"Basidiomycota","rank":"phylum","taxon_db":"mycobank","external_id":"90050","ncbi_id":5204},{"id":1366,"name":"Agaricomycetes","rank":"class","taxon_db":"mycobank","external_id":"501297","ncbi_id":155619},{"id":1367,"name":"Agaricales","rank":"order","taxon_db":"mycobank","external_id":"90508","ncbi_id":5338},{"id":1420,"name":"Cyphellaceae","rank":"family","taxon_db":"mycobank","external_id":"80673","ncbi_id":139264}]}},"syntheses":["10.1039/c8ob02557f"],"reassignments":[],"mol_structures":[{"current_structure":true,"reference_doi":"10.3390/md12010167","structure_smiles":"C[C@]12CCC(=C1[C@@H]3CC(C[C@@H]3C2=O)(C)C)C(=O)O","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"npmrd","external_db_code":"NP0012400"}],"classyfire":{"class":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000259","name":"Prenol lipids","chemont_id":"CHEMONTID:0000259","description":"Lipids synthesized from the five-carbon-unit precursors isopentenyl diphosphate and dimethylallyl diphosphate."},"smiles":"[H][C@]12CC(C)(C)C[C@@]1([H])C1=C(CC[C@]1(C)C2=O)C(O)=O","kingdom":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000000","name":"Organic compounds","chemont_id":"CHEMONTID:0000000","description":"Compounds that contain at least one carbon atom, excluding isocyanide/cyanide and their non-hydrocarbyl derivatives, thiophosgene, carbon diselenide, carbon monosulfide, carbon disulfide, carbon subsulfide, carbon monoxide, carbon dioxide, Carbon suboxide, and dicarbon monoxide."},"inchikey":"InChIKey=APVSRGRSDSBWMN-FTGAXOIBSA-N","subclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001550","name":"Sesquiterpenoids","chemont_id":"CHEMONTID:0001550","description":"Terpenes with three consecutive isoprene units."},"ancestors":["Carbonyl compounds","Carboxylic acids","Carboxylic acids and derivatives","Chemical entities","Hydrocarbon derivatives","Ketones","Linear triquinanes","Lipids and lipid-like molecules","Monocarboxylic acids and derivatives","Organic acids and derivatives","Organic compounds","Organic oxides","Organic oxygen compounds","Organooxygen compounds","Prenol lipids","Sesquiterpenoids","Triquinane sesquiterpenoids"],"superclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000012","name":"Lipids and lipid-like molecules","chemont_id":"CHEMONTID:0000012","description":"Fatty acids and their derivatives, and substances related biosynthetically or functionally to these compounds."},"description":"This compound belongs to the class of organic compounds known as linear triquinanes. 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Ketones that have one or more alpha-hydrogen atoms undergo keto-enol tautomerization, the tautomer being an enol."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001137","name":"Monocarboxylic acids and derivatives","chemont_id":"CHEMONTID:0001137","description":"Carboxylic acids containing exactly one carboxyl groups."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001205","name":"Carboxylic acids","chemont_id":"CHEMONTID:0001205","description":"Compounds containing a carboxylic acid group with the formula -C(=O)OH."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0003940","name":"Organic oxides","chemont_id":"CHEMONTID:0003940","description":"Organic compounds containing an oxide group."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0004150","name":"Hydrocarbon derivatives","chemont_id":"CHEMONTID:0004150","description":"Derivatives of hydrocarbons obtained by substituting one or more carbon atoms by an heteroatom. 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