{"id":21316,"npaid":"NPA021316","original_name":"Strobilurin G","mol_formula":"C26H34O6","mol_weight":"442.5520","exact_mass":"442.2355","inchikey":"CGBAOGDKJZIWTF-BDONDIIXSA-N","smiles":"CO/C=C(C(=O)OC)\\C(C)=C/C=C/C1=CC2=C(C=C1)OC[C@H](OCC=C(C)C)C(C)(C)O2","cluster_id":258,"node_id":235,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C26H34O6/c1-18(2)13-14-30-24-17-31-22-12-11-20(15-23(22)32-26(24,4)5)10-8-9-19(3)21(16-28-6)25(27)29-7/h8-13,15-16,24H,14,17H2,1-7H3/b10-8+,19-9-,21-16+/t24-/m0/s1","m_plus_h":"443.2428","m_plus_na":"465.2247","origin_reference":{"doi":"10.7164/antibiotics.43.655","pmid":2380111,"authors":"Fredenhagen A; Kuhn A; Peter HH; Cuomo V; Giuliano U","title":"Strobilurins F, G and H, three new antifungal metabolites from Bolinea lutea. I. Fermentation, isolation and biological activity.","journal":"Journal of Antibiotics","year":1990,"volume":"43","issue":"6","pages":"655-660"},"origin_organism":{"id":6511,"type":"Fungus","genus":"Bolinea","species":"lutea Sacc.","taxon":{"id":1364,"name":"Bolinea","rank":"genus","taxon_db":"mycobank","external_id":null,"ncbi_id":null,"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}]}},"syntheses":[],"reassignments":[{"reference_doi":"10.1016/j.tet.2004.03.092","structure_smiles":"CO/C=C(C(=O)OC)\\C(C)=C/C=C/C1=CC2=C(C=C1)OC[C@H](OCC=C(C)C)C(C)(C)O2"}],"mol_structures":[{"current_structure":false,"reference_doi":"10.7164/antibiotics.43.655","structure_smiles":"CC(=CCOC1COC2=C(C=C(C=C2)/C=C/C=C(/C)\\C(=C/OC)\\C(=O)OC)OC1(C)C)C","is_reassignment":false,"version":1},{"current_structure":true,"reference_doi":"10.1016/j.tet.2004.03.092","structure_smiles":"CO/C=C(C(=O)OC)\\C(C)=C/C=C/C1=CC2=C(C=C1)OC[C@H](OCC=C(C)C)C(C)(C)O2","is_reassignment":true,"version":2}],"exclusions":[],"external_ids":[{"external_db_name":"npmrd","external_db_code":"NP0011884"}],"classyfire":{"class":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0002279","name":"Benzene and substituted derivatives","chemont_id":"CHEMONTID:0002279","description":"Aromatic compounds containing one monocyclic ring system consisting of benzene."},"smiles":"CO\\C=C(/C(/C)=C\\C=C\\C1=CC2=C(OCC(OCC=C(C)C)C(C)(C)O2)C=C1)\\C(=O)OC","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=CGBAOGDKJZIWTF-QILZHMQOSA-N","subclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000037","name":"Styrenes","chemont_id":"CHEMONTID:0000037","description":"Organic compounds containing an ethenylbenzene moiety."},"ancestors":["Alkyl aryl ethers","Alpha,beta-unsaturated carboxylic esters","Benzene and substituted derivatives","Benzenoids","Carbonyl compounds","Carboxylic acid derivatives","Carboxylic acid esters","Carboxylic acids and derivatives","Chemical entities","Dialkyl ethers","Enoate esters","Ethers","Fatty Acyls","Fatty acid esters","Hydrocarbon derivatives","Lipids and lipid-like molecules","Methyl esters","Monocarboxylic acids and derivatives","Organic acids and derivatives","Organic compounds","Organic oxides","Organic oxygen compounds","Organoheterocyclic compounds","Organooxygen compounds","Oxacyclic compounds","Styrenes","Vinylogous esters"],"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 styrenes. 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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/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/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/C0001167","name":"Dialkyl ethers","chemont_id":"CHEMONTID:0001167","description":"Organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are alkyl groups."},{"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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