{"id":17581,"npaid":"NPA017581","original_name":"Terrelactone A","mol_formula":"C26H28O8","mol_weight":"468.5020","exact_mass":"468.1784","inchikey":"OUVRGNVUVNCMKG-AREMUKBSSA-N","smiles":"CC(=CCC1=C(C(=CC(=C1)C[C@@]2(C(=C(C(=O)O2)O)C3=CC=C(C=C3)OC)C(=O)OC)OC)O)C","cluster_id":710,"node_id":621,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C26H28O8/c1-15(2)6-7-18-12-16(13-20(32-4)22(18)27)14-26(25(30)33-5)21(23(28)24(29)34-26)17-8-10-19(31-3)11-9-17/h6,8-13,27-28H,7,14H2,1-5H3/t26-/m1/s1","m_plus_h":"469.1857","m_plus_na":"491.1676","origin_reference":{"doi":"10.1080/14786419.2015.1013473","pmid":25702805,"authors":"Yuan, Lin; Huang, Wenzhong; Zhou, Kun; Wang, Yuede; Dong, Wei; Du, Gang; Gao, Xuemei; Ma, Yinhai; Hu, Qiufen","title":"Butyrolactones derivatives from the fermentation products of a plant entophytic fungus Penicillium oxalicum","journal":"Natural Product Research","year":2015,"volume":"29","issue":"20","pages":"1914-1919"},"origin_organism":{"id":5289,"type":"Fungus","genus":"Penicillium","species":"oxalicum 0403","taxon":{"id":1239,"name":"Penicillium","rank":"genus","taxon_db":"mycobank","external_id":"9257","ncbi_id":5073,"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":"10.1080/14786419.2015.1013473","structure_smiles":"CC(=CCC1=C(C(=CC(=C1)C[C@@]2(C(=C(C(=O)O2)O)C3=CC=C(C=C3)OC)C(=O)OC)OC)O)C","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"npmrd","external_db_code":"NP0013839"}],"classyfire":{"class":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000134","name":"Phenols","chemont_id":"CHEMONTID:0000134","description":"Compounds containing a phenol moiety, which is a benzene bearing a hydroxyl group."},"smiles":"COC(=O)[C@]1(CC2=CC(CC=C(C)C)=C(O)C(OC)=C2)OC(=O)C(O)=C1C1=CC=C(OC)C=C1","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=OUVRGNVUVNCMKG-AREMUKBSSA-N","subclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000190","name":"Methoxyphenols","chemont_id":"CHEMONTID:0000190","description":"Compounds containing a methoxy group attached to the benzene ring of a phenol moiety."},"ancestors":["Alkyl aryl ethers","Alpha,beta-unsaturated carboxylic esters","Anisoles","Benzene and substituted derivatives","Benzenoids","Butenolides","Carbonyl compounds","Carboxylic acid derivatives","Carboxylic acid esters","Carboxylic acids and derivatives","Chemical entities","Dicarboxylic acids and derivatives","Dihydrofurans","Enoate esters","Enols","Ethers","Fatty Acyls","Fatty acid esters","Furanones","Hydrocarbon derivatives","Lactones","Lipids and lipid-like molecules","Methoxybenzenes","Methoxyphenols","Methyl esters","Organic acids and derivatives","Organic compounds","Organic oxides","Organic oxygen compounds","Organoheterocyclic compounds","Organooxygen compounds","Oxacyclic compounds","Phenol ethers","Phenols","Phenoxy compounds"],"superclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0002448","name":"Benzenoids","chemont_id":"CHEMONTID:0002448","description":"Aromatic compounds containing one or more benzene rings."},"description":"This compound belongs to the class of organic compounds known as methoxyphenols. 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They have the general structure RC(=O)OR', where R=H or organyl group and R'=methyl group."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0003626","name":"Enoate esters","chemont_id":"CHEMONTID:0003626","description":"An alpha,beta-unsaturated carboxylic ester of general formula R1C(R2)=C(R3)C(=O)OR4 (R4= organyl compound) in which the ester C=O function is conjugated to a C=C double bond at the alpha,beta position."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000050","name":"Lactones","chemont_id":"CHEMONTID:0000050","description":"Cyclic esters of hydroxy carboxylic acids, containing a 1-oxacycloalkan-2-one structure, or analogues having unsaturation or heteroatoms replacing one or more carbon atoms of the ring."},{"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/C0000132","name":"Enols","chemont_id":"CHEMONTID:0000132","description":"Compounds containing the enol functional group, with the structure HO(R)C=CR'. 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