{"id":31448,"npaid":"NPA031448","original_name":"2-Hydroxysorangiadenosine","mol_formula":"C25H37N5O5","mol_weight":"487.6010","exact_mass":"487.2795","inchikey":"VMGXJYLNXQJWLG-QPUJKJSISA-N","smiles":"C=C(C)[C@@H]1CC[C@@]2(C)C[C@@H](O)C[C@@](C)(NC3=C4N=CN([C@@H]5O[C@H](CO)[C@@H](O)[C@H]5O)C4=NC=N3)[C@@H]2C1","cluster_id":9123,"node_id":6130,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C25H37N5O5/c1-13(2)14-5-6-24(3)8-15(32)9-25(4,17(24)7-14)29-21-18-22(27-11-26-21)30(12-28-18)23-20(34)19(33)16(10-31)35-23/h11-12,14-17,19-20,23,31-34H,1,5-10H2,2-4H3,(H,26,27,29)/t14-,15-,16-,17-,19-,20-,23-,24+,25-/m1/s1","m_plus_h":"488.2868","m_plus_na":"510.2687","origin_reference":{"doi":"10.3390/molecules25112676","pmid":32527018,"authors":"Dorothy A. Okoth, Joachim J. Hug, Ronald Garcia, Cathrin Spröer, Jörg Overmann and Rolf Müller","title":"2-Hydroxysorangiadenosine: Structure and Biosynthesis of a Myxobacterial Sesquiterpene-Nucleoside.","journal":"Molecules","year":2020,"volume":"25","issue":"11","pages":null},"origin_organism":{"id":10414,"type":"Bacterium","genus":"Vitiosangium","species":"cumulatum MCy10943","taxon":{"id":1883,"name":"Vitiosangium","rank":"genus","taxon_db":"lpsn","external_id":"519184","ncbi_id":null,"ancestors":[{"id":1,"name":"Bacteria","rank":"domain","taxon_db":"lpsn","external_id":"0","ncbi_id":2},{"id":2,"name":"Proteobacteria","rank":"phylum","taxon_db":"lpsn","external_id":"0","ncbi_id":1224},{"id":168,"name":"Deltaproteobacteria","rank":"class","taxon_db":"lpsn","external_id":"0","ncbi_id":28221},{"id":169,"name":"Myxococcales","rank":"order","taxon_db":"lpsn","external_id":"0","ncbi_id":29},{"id":170,"name":"Archangiaceae","rank":"family","taxon_db":"lpsn","external_id":"0","ncbi_id":39}]}},"syntheses":[],"reassignments":[],"mol_structures":[{"current_structure":true,"reference_doi":"10.3390/molecules25112676","structure_smiles":"C=C(C)[C@@H]1CC[C@@]2(C)C[C@@H](O)C[C@@](C)(NC3=C4N=CN([C@@H]5O[C@H](CO)[C@@H](O)[C@H]5O)C4=NC=N3)[C@@H]2C1","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"mibig","external_db_code":"BGC0002339"}],"classyfire":{"class":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000479","name":"Purine nucleosides","chemont_id":"CHEMONTID:0000479","description":"Compounds comprising a purine base attached to a ribosyl or deoxyribosyl moiety."},"smiles":"CC(=C)[C@@H]1CC[C@@]2(C)C[C@@H](O)C[C@@](C)(NC3=C4N=CN([C@@H]5O[C@H](CO)[C@@H](O)[C@H]5O)C4=NC=N3)[C@@H]2C1","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=VMGXJYLNXQJWLG-QPUJKJSISA-N","subclass":null,"ancestors":["6-alkylaminopurines","6-aminopurines","Alcohols and polyols","Amidines","Amines","Azacyclic compounds","Azoles","Azolines","Carbohydrates and carbohydrate conjugates","Carboximidamides","Chemical entities","Cyclic alcohols and derivatives","Dialkylamines","Diazines","Elemane sesquiterpenoids","Eudesmane, isoeudesmane or cycloeudesmane sesquiterpenoids","Formamidines","Glycosyl compounds","Glycosylamines","Heteroaromatic compounds","Hydrocarbon derivatives","Imidazoles","Imidazolines","Imidazopyrimidines","Imidolactams","Lipids and lipid-like molecules","Monosaccharides","N-substituted imidazoles","Nucleosides, nucleotides, and analogues","Organic 1,3-dipolar compounds","Organic compounds","Organic nitrogen compounds","Organic oxygen compounds","Organoheterocyclic compounds","Organonitrogen compounds","Organooxygen compounds","Organopnictogen compounds","Oxacyclic compounds","Pentoses","Prenol lipids","Propargyl-type 1,3-dipolar organic compounds","Purine nucleosides","Purines and purine derivatives","Pyrimidines and pyrimidine derivatives","Secondary alcohols","Secondary alkylarylamines","Secondary amines","Sesquiterpenoids","Substituted imidazoles","Tetrahydrofurans"],"superclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000289","name":"Nucleosides, nucleotides, and analogues","chemont_id":"CHEMONTID:0000289","description":"Compounds containing a nucleobase linked to a ribose or deoxyribose sugar via a beta-glycosidic linkage. The ribose or deoxyribose moiety bears at least a phosphate group in case of nucleotides."},"description":"This compound belongs to the class of organic compounds known as purine nucleosides. These are compounds comprising a purine base attached to a ribosyl or deoxyribosyl moiety.","substituents":["Purine nucleoside","Farsesane sesquiterpenoid","Sesquiterpenoid","Eudesmane, isoeudesmane or cycloeudesmane sesquiterpenoid","Elemane sesquiterpenoid","6-alkylaminopurine","N-glycosyl compound","Glycosyl compound","Pentose monosaccharide","Imidazopyrimidine","Secondary aliphatic/aromatic amine","Imidolactam","Pyrimidine","N-substituted imidazole","Monosaccharide","Heteroaromatic compound","Tetrahydrofuran","2-imidazoline","Cyclic alcohol","Azole","Secondary alcohol","Formamidine","Oxacycle","Azacycle","Organoheterocyclic compound","Organic 1,3-dipolar compound","Propargyl-type 1,3-dipolar organic compound","Carboximidamide","Secondary amine","Secondary aliphatic amine","Amidine","Organic nitrogen compound","Organic oxygen compound","Organopnictogen compound","Hydrocarbon derivative","Organooxygen compound","Organonitrogen compound","Amine","Alcohol","Aromatic heteropolycyclic compound"],"direct_parent":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000479","name":"Purine nucleosides","chemont_id":"CHEMONTID:0000479","description":"Compounds comprising a purine base attached to a ribosyl or deoxyribosyl moiety."},"intermediate_nodes":[],"alternative_parents":[{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000101","name":"Eudesmane, isoeudesmane or cycloeudesmane sesquiterpenoids","chemont_id":"CHEMONTID:0000101","description":"Sesquiterpenoids with a structure based on the eudesmane skeleton."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0002872","name":"Elemane sesquiterpenoids","chemont_id":"CHEMONTID:0002872","description":"Sesquiterpenoids with a structure based on the elemane skeleton. Elemane is a monocyclic compound consisting of a cyclohexane ring substituted with a methyl group, an ethyl group, and two 1-methylethyl groups at the 1-, 1-, 2-, and 4-position, respectively."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0002203","name":"Glycosylamines","chemont_id":"CHEMONTID:0002203","description":"Compounds consisting of an amine with a beta-N-glycosidic bond to a carbohydrate, thus forming a cyclic hemiaminal ether bond (alpha-amino ether)."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0003454","name":"6-alkylaminopurines","chemont_id":"CHEMONTID:0003454","description":"Compounds that contain an alkylamine group attached at the 6-position of a purine. Purine is a bicyclic aromatic compound made up of a pyrimidine ring fused to an imidazole ring."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001497","name":"Pentoses","chemont_id":"CHEMONTID:0001497","description":"Monosaccharides in which the carbohydrate moiety contains five carbon atoms."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0002458","name":"Secondary alkylarylamines","chemont_id":"CHEMONTID:0002458","description":"Secondary alkylarylamines with the general formula HN(R)R' (R = alkyl, R' = aryl)."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000075","name":"Pyrimidines and pyrimidine derivatives","chemont_id":"CHEMONTID:0000075","description":"Compounds containing a pyrimidne ring, which is a six-member aromatic heterocycle which consists of two nitrogen atoms (at positions 1 and 3) and four carbon atoms."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0002311","name":"N-substituted imidazoles","chemont_id":"CHEMONTID:0002311","description":"Heterocyclic compounds containing an imidazole ring substituted at position 1."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0003886","name":"Imidolactams","chemont_id":"CHEMONTID:0003886","description":"Cyclic organooxygen compounds containing the structure RC(=N)N where the central carbon atom and one of the linked nitrogen atoms are part of the same ring( R here is an organyl group). They can also be viewed as analogs of lactams where the oxygen atom is replaced by a nitrogen atom."},{"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/C0000079","name":"Imidazolines","chemont_id":"CHEMONTID:0000079","description":"Organic compounds containing an imidazoline ring, which is an unsaturated ring (derived from imidazole) with two nitrogen atoms at positions 1 and 3 respectively, and containing only one CN double bond."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0004144","name":"Heteroaromatic compounds","chemont_id":"CHEMONTID:0004144","description":"Compounds containing an aromatic ring where a carbon atom is linked to an hetero atom."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001661","name":"Secondary alcohols","chemont_id":"CHEMONTID:0001661","description":"Compounds containing a secondary alcohol functional group, with the general structure HOC(R)(R') (R,R'=alkyl, aryl)."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001292","name":"Cyclic alcohols and derivatives","chemont_id":"CHEMONTID:0001292","description":"Organic compounds containing an aliphatic ring substituted with at least one hydroxyl group."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0003633","name":"Propargyl-type 1,3-dipolar organic compounds","chemont_id":"CHEMONTID:0003633","description":"Organic 1,3-dipolar compounds with the general structure  X#N+-Z- <-> X-=N+=Z <-> X-=N-Z+ <-> X-N=Z (X = C or O, Z = C, N, or O)."},{"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/C0004729","name":"Formamidines","chemont_id":"CHEMONTID:0004729","description":"Amidines with the general structure Amidines with the general structure RN=CHN(R')R\\\", where R, R',and R\\\" are any atoms not part of an amide or a thioamide group."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0002228","name":"Dialkylamines","chemont_id":"CHEMONTID:0002228","description":"Organic compounds containing a dialkylamine group, characterized by two alkyl groups bonded to the amino nitrogen."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0003152","name":"Carboximidamides","chemont_id":"CHEMONTID:0003152","description":"Organonitrogen compounds with the general formula RN=CN(R')(R''), (R,R',R'' = H or organyl group)."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0004139","name":"Azacyclic compounds","chemont_id":"CHEMONTID:0004139","description":"Organic compounds containing an heterocycle with at least one nitrogen atom and one carbon atom linked to each other."},{"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. Pnictogens are p-block element atoms that are in the group 15 of the periodic table."},{"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. They contain at least one carbon atom and heteroatom."}],"molecular_framework":"Aromatic heteropolycyclic compounds","external_descriptors":[],"predicted_chebi_terms":[],"classification_version":"2.1","predicted_lipidmaps_terms":[]},"npclassifier":{"isglycoside":false,"class_results":[],"pathway_results":["Terpenoids"],"superclass_results":["Diterpenoids"]}}