{"id":26256,"npaid":"NPA026256","original_name":"Epideoxysporothric acid","mol_formula":"C13H20O4","mol_weight":"240.2990","exact_mass":"240.1362","inchikey":"RHVCCGGUZCFSLF-MNOVXSKESA-N","smiles":"C=C(C(=O)O)[C@@H]1C[C@@H](CCCCCC)OC1=O","cluster_id":2304,"node_id":1822,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C13H20O4/c1-3-4-5-6-7-10-8-11(13(16)17-10)9(2)12(14)15/h10-11H,2-8H2,1H3,(H,14,15)/t10-,11+/m1/s1","m_plus_h":"241.1435","m_plus_na":"263.1254","origin_reference":{"doi":"10.1021/acs.jafc.8b04996","pmid":30789727,"authors":"Cao, Lingling; Yan, Wei; Gu, Chenguang; Wang, Zhiyang; Zhao, Shuangshuang; Kang, Shuang; Khan, Babar; Zhu, Hailiang; Li, Jun; Ye, Yonghao","title":"New Alkylitaconic Acid Derivatives from Nodulisporium sp. A21 and Their Auxin Herbicidal Activities on Weed Seeds","journal":"Journal of Agricultural and Food Chemistry","year":2019,"volume":"67","issue":"10","pages":"2811-2817"},"origin_organism":{"id":9486,"type":"Fungus","genus":"Nodulisporium","species":"sp. 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These are compounds containing a gamma butyrolactone moiety, which consists of an aliphatic five-member ring with four carbon atoms, one oxygen atom, and bears a ketone group on the carbon adjacent to the oxygen atom.","substituents":["Gamma butyrolactone","Dicarboxylic acid or derivatives","Tetrahydrofuran","Carboxylic acid ester","Oxacycle","Carboxylic acid","Carboxylic acid derivative","Organic oxygen compound","Organic oxide","Hydrocarbon derivative","Organooxygen compound","Carbonyl group","Aliphatic heteromonocyclic compound"],"direct_parent":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001245","name":"Gamma butyrolactones","chemont_id":"CHEMONTID:0001245","description":"Compounds containing a gamma butyrolactone moiety, which consists of an aliphatic five-member ring with four carbon atoms, one oxygen atom, and bears a ketone group on the carbon adjacent to the oxygen atom."},"intermediate_nodes":[],"alternative_parents":[{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000346","name":"Dicarboxylic acids and derivatives","chemont_id":"CHEMONTID:0000346","description":"Organic compounds containing exactly two carboxylic acid groups."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0002648","name":"Tetrahydrofurans","chemont_id":"CHEMONTID:0002648","description":"Heterocyclic compounds containing a saturated, aliphatic, five-membered ring where a carbon is replaced by an oxygen."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001238","name":"Carboxylic acid esters","chemont_id":"CHEMONTID:0001238","description":"Carboxylic acid derivatives in which the carbon atom from the carbonyl group is attached to an alkyl or an aryl moiety through an oxygen atom (forming an ester group)."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0004140","name":"Oxacyclic compounds","chemont_id":"CHEMONTID:0004140","description":"Organic compounds containing an heterocycle with at least one oxygen atom linked to a ring carbon."},{"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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