{"id":3486,"npaid":"NPA003486","original_name":"Thielocin-B1","mol_formula":"C53H58O17","mol_weight":"967.0300","exact_mass":"966.3674","inchikey":"BOFISKFABQHONR-UHFFFAOYSA-N","smiles":"CC1=C(C(=C(C(=C1C)OC(=O)C2=C(C(=C(C(=C2OC)C)OC3=C(C(=C(C(=C3C)C(=O)OC4=C(C(=C(C(=C4C)OC)C(=O)OC5=C(C(=C(C(=C5C)OC)C(=O)O)C)C)C)C)O)C)O)C)C)C)OC)C(=O)O","cluster_id":46,"node_id":11,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C53H58O17/c1-19-23(5)41(30(12)44(63-15)34(19)49(56)57)69-52(61)36-21(3)25(7)40(29(11)46(36)65-17)67-48-27(9)33(38(54)28(10)39(48)55)51(60)68-43-26(8)22(4)37(47(66-18)32(43)14)53(62)70-42-24(6)20(2)35(50(58)59)45(64-16)31(42)13/h54-55H,1-18H3,(H,56,57)(H,58,59)","m_plus_h":"967.3747","m_plus_na":"989.3566","origin_reference":{"doi":"10.7164/antibiotics.48.106","pmid":7706119,"authors":"MATSUMOTO, KOICHI; TANAKA, KAZUSHIGE; MATSUTANI, SHIGERU; SAKAZAKI, RYUJI; HINOO, HIROSHI; UOTANI, NOBUO; TANIMOTO, TATSUO; KAWAMURA, YOSHIMI; NAKAMOTO, SHOZO; YOSHIDA, TADASHI","title":"Isolation and Biological Activity of Thielocins: Novel Phospholipase A2 Inhibitors Produced by Thielavia terricola RF-143","journal":"Journal of Antibiotics","year":1995,"volume":"48","issue":"2","pages":"106-112"},"origin_organism":{"id":2125,"type":"Fungus","genus":"Thielavia","species":"terricola RF-143","taxon":{"id":1145,"name":"Thielavia","rank":"genus","taxon_db":"mycobank","external_id":"5450","ncbi_id":35719,"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":1143,"name":"Melanosporales","rank":"order","taxon_db":"mycobank","external_id":"501294","ncbi_id":452228},{"id":1144,"name":"Ceratostomataceae","rank":"family","taxon_db":"mycobank","external_id":"80575","ncbi_id":72984}]}},"syntheses":[],"reassignments":[],"mol_structures":[{"current_structure":true,"reference_doi":"10.7164/antibiotics.48.106","structure_smiles":"CC1=C(C(=C(C(=C1C)OC(=O)C2=C(C(=C(C(=C2OC)C)OC3=C(C(=C(C(=C3C)C(=O)OC4=C(C(=C(C(=C4C)OC)C(=O)OC5=C(C(=C(C(=C5C)OC)C(=O)O)C)C)C)C)O)C)O)C)C)C)OC)C(=O)O","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"npmrd","external_db_code":"NP0022401"}],"classyfire":{"class":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001645","name":"Depsides and depsidones","chemont_id":"CHEMONTID:0001645","description":"Polycyclic compounds that is either a polyphenolic compound composed of two or more monocyclic aromatic units linked by an ester bond (depside), or a compound containing the depsidone structure (depsidone)."},"smiles":"COC1=C(C)C(OC(=O)C2=C(C)C(C)=C(OC(=O)C3=C(C)C(OC4=C(C)C(C)=C(C(=O)OC5=C(C)C(C)=C(C(O)=O)C(OC)=C5C)C(OC)=C4C)=C(O)C(C)=C3O)C(C)=C2OC)=C(C)C(C)=C1C(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=BOFISKFABQHONR-UHFFFAOYSA-N","subclass":null,"ancestors":["Alkyl aryl ethers","Anisoles","Benzene and substituted derivatives","Benzenediols","Benzenoids","Benzoic acid esters","Benzoic acids","Benzoic acids and derivatives","Benzoyl derivatives","Carboxylic acid derivatives","Carboxylic acid esters","Carboxylic acids","Carboxylic acids and derivatives","Chemical entities","Cresols","Depsides and depsidones","Diarylethers","Diphenylethers","Ethers","Hydrocarbon derivatives","Hydroxybenzoic acid derivatives","Meta cresols","Methoxybenzenes","Methoxybenzoic acids and derivatives","O-methoxybenzoic acids and derivatives","Organic acids and derivatives","Organic compounds","Organic oxides","Organic oxygen compounds","Organooxygen compounds","Ortho cresols","Pentacarboxylic acids and derivatives","Phenol esters","Phenol ethers","Phenols","Phenoxy compounds","Phenylpropanoids and polyketides","Resorcinols","Salicylic acid and derivatives","Vinylogous acids","Xylenes","Xylenols","o-Hydroxybenzoic acid esters","p-Hydroxybenzoic acid esters","p-Xylenes","p-Xylenols"],"superclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000261","name":"Phenylpropanoids and polyketides","chemont_id":"CHEMONTID:0000261","description":"Organic compounds that are synthesized either from the amino acid phenylalanine (phenylpropanoids) or the decarboxylative condensation of malonyl-CoA (polyketides). 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and a hydroxyl group at ring positions 1 and 3, respectively."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0004113","name":"Methoxybenzenes","chemont_id":"CHEMONTID:0004113","description":"Organic aromatic compounds containing a monocyclic benzene moiety carrying exactly or one more methoxy groups."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001274","name":"Ortho cresols","chemont_id":"CHEMONTID:0001274","description":"Organic compounds containing an ortho-cresol moiety, which consists of a benzene bearing one hydroxyl group at ring positions 1 and 2, respectively."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0004742","name":"Phenoxy compounds","chemont_id":"CHEMONTID:0004742","description":"Aromatic compounds contaning a phenoxy group."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000128","name":"Alkyl aryl ethers","chemont_id":"CHEMONTID:0000128","description":"Organic compounds containing the alkyl aryl ether functional group with the generic 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