{"id":17967,"npaid":"NPA017967","original_name":"Nodulisporic acid C2","mol_formula":"C43H59NO7","mol_weight":"701.9450","exact_mass":"701.4292","inchikey":"RJBBYXNTYMCJHA-UEWKXTELSA-N","smiles":"CC(C([C@@H]1C[C@]2([C@@H]3CC[C@H]4CC5=C([C@@]4([C@]3(CC[C@@]2(O1)O)C)C)NC6=C(C7=C(C=C56)C8=CC(OC([C@H]8[C@@H]7O)(C)C)(C)C)CC=C(C)C)C)O)C(=O)O","cluster_id":908,"node_id":787,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C43H59NO7/c1-21(2)11-13-24-31-25(28-19-38(4,5)51-39(6,7)32(28)35(31)46)18-26-27-17-23-12-14-30-40(8,42(23,10)36(27)44-33(24)26)15-16-43(49)41(30,9)20-29(50-43)34(45)22(3)37(47)48/h11,18-19,22-23,29-30,32,34-35,44-46,49H,12-17,20H2,1-10H3,(H,47,48)/t22?,23-,29-,30+,32+,34?,35+,40-,41-,42+,43-/m0/s1","m_plus_h":"702.4365","m_plus_na":"724.4184","origin_reference":{"doi":"10.1021/np020339u","pmid":12542359,"authors":"Ondeyka, John G.; Byrne, Kevin; Vesey, Diane; Zink, Deborah L.; Shoop, Wesley L.; Goetz, Michael A.; Singh, Sheo B.","title":"Nodulisporic acids C, C1, and C2: A series of D-ring-opened nodulisporic acids from the fungus Nodulisporium sp","journal":"Journal of Natural Products","year":2003,"volume":"66","issue":"1","pages":"121-124"},"origin_organism":{"id":3332,"type":"Fungus","genus":"Nodulisporium","species":"sp. 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Furan is a 5 membered- ring aromatic ring with four carbon and one oxygen atoms. Naphthalene is a polycyclic aromatic hydrocarbon  made up of two fused benzene rings."},"smiles":"CC(C(O)[C@@H]1C[C@@]2(C)[C@@H]3CC[C@H]4CC5=C(NC6=C(CC=C(C)C)C7=C(C=C56)C5=CC(C)(C)OC(C)(C)[C@H]5[C@@H]7O)[C@]4(C)[C@@]3(C)CC[C@]2(O)O1)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=RJBBYXNTYMCJHA-UEWKXTELSA-N","subclass":null,"ancestors":["3-alkylindoles","Alcohols and polyols","Azacyclic compounds","Benzenoids","Beta hydroxy acids and derivatives","Carbonyl compounds","Carboxylic acids","Carboxylic acids and derivatives","Chemical entities","Cyclic alcohols and derivatives","Dialkyl ethers","Ethers","Hemiacetals","Heteroaromatic compounds","Hydrocarbon derivatives","Hydroxy acids and derivatives","Indanes","Indoles","Indoles and derivatives","Monocarboxylic acids and derivatives","Naphthofurans","Organic acids and derivatives","Organic compounds","Organic nitrogen compounds","Organic oxides","Organic oxygen compounds","Organoheterocyclic compounds","Organonitrogen compounds","Organooxygen compounds","Organopnictogen compounds","Oxacyclic compounds","Pyrans","Pyrroles","Secondary alcohols","Tetrahydrofurans"],"superclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000002","name":"Organoheterocyclic compounds","chemont_id":"CHEMONTID:0000002","description":"Compounds containing a ring with least one carbon atom and one non-carbon atom."},"description":"This compound belongs to the class of organic compounds known as naphthofurans. These are compounds containing a furan ring fused to a naphthalene moiety. Furan is a 5 membered- ring aromatic ring with four carbon and one oxygen atoms. Naphthalene is a polycyclic aromatic hydrocarbon  made up of two fused benzene rings.","substituents":["Naphthofuran","3-alkylindole","Indane","Indole","Indole or derivatives","Beta-hydroxy acid","Hydroxy acid","Benzenoid","Pyran","Cyclic alcohol","Heteroaromatic compound","Tetrahydrofuran","Pyrrole","Hemiacetal","Secondary alcohol","Carboxylic acid derivative","Carboxylic acid","Dialkyl ether","Ether","Oxacycle","Azacycle","Monocarboxylic acid or derivatives","Organopnictogen compound","Carbonyl group","Organic nitrogen compound","Organic oxide","Hydrocarbon derivative","Alcohol","Organic oxygen compound","Organooxygen compound","Organonitrogen compound","Aromatic heteropolycyclic compound"],"direct_parent":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001634","name":"Naphthofurans","chemont_id":"CHEMONTID:0001634","description":"Compounds containing a furan ring fused to a naphthalene moiety. Furan is a 5 membered- ring aromatic ring with four carbon and one oxygen atoms. 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They contain at least one carbon atom and heteroatom."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0004557","name":"Organopnictogen compounds","chemont_id":"CHEMONTID:0004557","description":"Compounds containing a bond between carbon a pnictogen atom. 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