{"id":32588,"npaid":"NPA032588","original_name":"(7S,11S)-(+)-12-Hydroxysydonic acid","mol_formula":"C15H22O5","mol_weight":"282.3360","exact_mass":"282.1467","inchikey":"ISHXRANDGDVGJS-GENIYJEYSA-N","smiles":"CC(CO)CCC[C@@](C)(O)C1=C(O)C=C(C(=O)O)C=C1","cluster_id":1374,"node_id":1156,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C15H22O5/c1-10(9-16)4-3-7-15(2,20)12-6-5-11(14(18)19)8-13(12)17/h5-6,8,10,16-17,20H,3-4,7,9H2,1-2H3,(H,18,19)/t10?,15-/m1/s1","m_plus_h":"283.1540","m_plus_na":"305.1359","origin_reference":{"doi":"10.1016/j.bmc.2013.04.004","pmid":23647825,"authors":"Chung, Yu-Ming; Wei, Chien-Kei; Chuang, Da-Wei; El-Shazly, Mohamed; Hsieh, Chi-Ting; Asai, Teigo; Oshima, Yoshiteru; Hsieh, Tusty-Jiuan; Hwang, Tsong-Long; Wu, Yang-Chang; Chang, Fang-Rong","title":"An epigenetic modifier enhances the production of anti-diabetic and anti-inflammatory sesquiterpenoids from Aspergillus sydowii.","journal":"Bioorganic and Medicinal Chemistry","year":2013,"volume":"21","issue":"13","pages":"3866-3872"},"origin_organism":{"id":2582,"type":"Fungus","genus":"Aspergillus","species":"sydowii","taxon":{"id":1237,"name":"Aspergillus","rank":"genus","taxon_db":"mycobank","external_id":"7248","ncbi_id":5052,"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":1212,"name":"Eurotiomycetes","rank":"class","taxon_db":"mycobank","external_id":"501483","ncbi_id":147545},{"id":1235,"name":"Eurotiales","rank":"order","taxon_db":"mycobank","external_id":"90472","ncbi_id":5042},{"id":1236,"name":"Aspergillaceae","rank":"family","taxon_db":"mycobank","external_id":"80489","ncbi_id":1131492}]}},"syntheses":[],"reassignments":[],"mol_structures":[{"current_structure":true,"reference_doi":"10.1016/j.bmc.2013.04.004","structure_smiles":"CC(CO)CCC[C@@](C)(O)C1=C(O)C=C(C(=O)O)C=C1","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"gnps","external_db_code":"CCMSLIB00000846256%NCGC00180729-02!4-(2,7-dihydroxy-6-methylheptan-2-yl)-3-hydroxybenzoic acid%1"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00000846258%NCGC00180729-02!4-(2,7-dihydroxy-6-methylheptan-2-yl)-3-hydroxybenzoic acid%1"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00004685725%4-(2,7-dihydroxy-6-methylheptan-2-yl)-3-hydroxybenzoic acid%3"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00004685726%4-(2,7-dihydroxy-6-methylheptan-2-yl)-3-hydroxybenzoic acid%3"}],"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":"CC(CO)CCC[C@@](C)(O)C1=C(O)C=C(C=C1)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=ISHXRANDGDVGJS-GENIYJEYSA-N","subclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001550","name":"Sesquiterpenoids","chemont_id":"CHEMONTID:0001550","description":"Terpenes with three consecutive isoprene units."},"ancestors":[],"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 sesquiterpenoids. 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