{"id":18179,"npaid":"NPA018179","original_name":"Diaporol I","mol_formula":"C15H26O3","mol_weight":"254.3700","exact_mass":"254.1882","inchikey":"VYGRCVWARMYZPO-IDTSFGKNSA-N","smiles":"C[C@]12CCCC([C@@H]1CC[C@@]([C@@H]2C(=O)O)(C)O)(C)C","cluster_id":6004,"node_id":651,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C15H26O3/c1-13(2)7-5-8-14(3)10(13)6-9-15(4,18)11(14)12(16)17/h10-11,18H,5-9H2,1-4H3,(H,16,17)/t10-,11+,14-,15+/m0/s1","m_plus_h":"255.1955","m_plus_na":"277.1774","origin_reference":{"doi":"10.1021/np3004112","pmid":23006147,"authors":"Zang, Le Yun; Wei, Wei; Guo, Ye; Wang, Ting; Jiao, Rui Hua; Ng, Seik Weng; Tan, Ren Xiang; Ge, Hui Ming","title":"Sesquiterpenoids from the mangrove-derived endophytic fungus Diaporthe sp","journal":"Journal of Natural Products","year":2012,"volume":"75","issue":"10","pages":"1744-1749"},"origin_organism":{"id":31,"type":"Fungus","genus":"Diaporthe","species":"sp.","taxon":{"id":1088,"name":"Diaporthe","rank":"genus","taxon_db":"mycobank","external_id":"1497","ncbi_id":36922,"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":879,"name":"Sordariomycetes","rank":"class","taxon_db":"mycobank","external_id":"90350","ncbi_id":147550},{"id":1074,"name":"Diaporthales","rank":"order","taxon_db":"mycobank","external_id":"90468","ncbi_id":5114},{"id":1087,"name":"Diaporthaceae","rank":"family","taxon_db":"mycobank","external_id":"80691","ncbi_id":767018}]}},"syntheses":[],"reassignments":[],"mol_structures":[{"current_structure":true,"reference_doi":"10.1021/np3004112","structure_smiles":"C[C@]12CCCC([C@@H]1CC[C@@]([C@@H]2C(=O)O)(C)O)(C)C","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"npmrd","external_db_code":"NP0011113"}],"classyfire":{"class":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000323","name":"Organooxygen compounds","chemont_id":"CHEMONTID:0000323","description":"Organic compounds containing a bond between a carbon atom and an oxygen atom."},"smiles":"CC1(C)CCC[C@@]2(C)[C@H]1CC[C@@](C)(O)[C@@H]2C(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=VYGRCVWARMYZPO-IDTSFGKNSA-N","subclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000129","name":"Alcohols and polyols","chemont_id":"CHEMONTID:0000129","description":"Organic compounds in which at least one hydroxyl functional group (-OH) is bound to a carbon atom, usually connected to other carbon or hydrogen atoms."},"ancestors":["Alcohols and polyols","Carbonyl compounds","Carboxylic acids","Carboxylic acids and derivatives","Chemical entities","Cyclic alcohols and derivatives","Hydrocarbon derivatives","Monocarboxylic acids and derivatives","Organic acids and derivatives","Organic compounds","Organic oxides","Organic oxygen compounds","Organooxygen compounds","Tertiary alcohols"],"superclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0004603","name":"Organic oxygen compounds","chemont_id":"CHEMONTID:0004603","description":"Organic compounds that contain one or more oxygen atoms."},"description":"This compound belongs to the class of organic compounds known as tertiary alcohols. 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