{"id":20705,"npaid":"NPA020705","original_name":"02-3D","mol_formula":"C55H80O25","mol_weight":"1141.2200","exact_mass":"1140.4989","inchikey":"DPXBORGLESAKSY-IGFOJPASSA-N","smiles":"C[C@@H]1[C@@H]([C@@H](C[C@H](O1)O[C@@H]2[C@@H](CC3=C(C2=O)C(=C4C(=C3)C=C(C(=C4O)C)O[C@@H]5C[C@H]([C@@H]([C@H](O5)C)O)O[C@H]6C[C@H]([C@H]([C@H](O6)C)OC)O)O)[C@@H](C(=O)[C@@H]([C@@H](C)O)O)OC)O[C@@H]7C[C@H]([C@H]([C@H](O7)C)O)O[C@H]8C[C@@]([C@@H]([C@H](O8)C)OC(=O)C)(C)O)O","cluster_id":1662,"node_id":1358,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C55H80O25/c1-20-32(76-37-16-33(45(61)22(3)70-37)77-36-15-31(58)51(68-10)25(6)73-36)14-29-12-28-13-30(52(69-11)50(66)44(60)21(2)56)53(49(65)42(28)48(64)41(29)43(20)59)80-39-18-34(46(62)24(5)72-39)78-38-17-35(47(63)23(4)71-38)79-40-19-55(9,67)54(26(7)74-40)75-27(8)57/h12,14,21-26,30-31,33-40,44-47,51-54,56,58-64,67H,13,15-19H2,1-11H3/t21-,22-,23-,24-,25-,26-,30+,31-,33-,34-,35-,36+,37-,38-,39-,40+,44-,45-,46+,47+,51+,52+,53-,54-,55-/m1/s1","m_plus_h":"1141.5062","m_plus_na":"1163.4881","origin_reference":{"doi":"10.7164/antibiotics.43.110","pmid":2307622,"authors":"Kawano T; Hidaka T; Furihata K; Mochizuki J; Nakayama H; Hayakawa Y; Seto H","title":"ISOLATION AND STRUCTURES OF MONO- AND DI-DEACETYL CHROMOMYCIN ANTIBIOTICS 02-3D AND 02-3G FROM STREPTOMYCES AVELLANEUS","journal":"Journal of Antibiotics","year":1990,"volume":"43","issue":"1","pages":"110-113"},"origin_organism":{"id":5956,"type":"Bacterium","genus":"Streptomyces","species":"avellaneus 99/2/3","taxon":{"id":283,"name":"Streptomyces","rank":"genus","taxon_db":"lpsn","external_id":"517119","ncbi_id":1883,"ancestors":[{"id":1,"name":"Bacteria","rank":"domain","taxon_db":"lpsn","external_id":"0","ncbi_id":2},{"id":203,"name":"Actinobacteria","rank":"phylum","taxon_db":"lpsn","external_id":"0","ncbi_id":201174},{"id":204,"name":"Actinobacteria","rank":"class","taxon_db":"lpsn","external_id":"0","ncbi_id":null},{"id":275,"name":"Streptomycetales","rank":"order","taxon_db":"lpsn","external_id":"0","ncbi_id":85011},{"id":276,"name":"Streptomycetaceae","rank":"family","taxon_db":"lpsn","external_id":"0","ncbi_id":2062}]}},"syntheses":[],"reassignments":[],"mol_structures":[{"current_structure":true,"reference_doi":"10.7164/antibiotics.43.110","structure_smiles":"C[C@@H]1[C@@H]([C@@H](C[C@H](O1)O[C@@H]2[C@@H](CC3=C(C2=O)C(=C4C(=C3)C=C(C(=C4O)C)O[C@@H]5C[C@H]([C@@H]([C@H](O5)C)O)O[C@H]6C[C@H]([C@H]([C@H](O6)C)OC)O)O)[C@@H](C(=O)[C@@H]([C@@H](C)O)O)OC)O[C@@H]7C[C@H]([C@H]([C@H](O7)C)O)O[C@H]8C[C@@]([C@@H]([C@H](O8)C)OC(=O)C)(C)O)O","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"npmrd","external_db_code":"NP0011173"}],"classyfire":{"class":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000323","name":"Organooxygen compounds","chemont_id":"CHEMONTID:0000323","description":"Organic compounds containing a bond between a carbon atom and an oxygen atom."},"smiles":"[H][C@](C)(O)[C@@]([H])(O)C(=O)[C@@]([H])(OC)[C@]1([H])CC2=CC3=CC(O[C@]4([H])C[C@@]([H])(O[C@@]5([H])C[C@@]([H])(O)[C@@]([H])(OC)[C@@]([H])(C)O5)[C@]([H])(O)[C@@]([H])(C)O4)=C(C)C(O)=C3C(O)=C2C(=O)[C@]1([H])O[C@]1([H])C[C@@]([H])(O[C@]2([H])C[C@@]([H])(O[C@@]3([H])C[C@@](C)(O)[C@]([H])(OC(C)=O)[C@@]([H])(C)O3)[C@@]([H])(O)[C@@]([H])(C)O2)[C@@]([H])(O)[C@@]([H])(C)O1","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=DPXBORGLESAKSY-IGFOJPASSA-N","subclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000011","name":"Carbohydrates and carbohydrate conjugates","chemont_id":"CHEMONTID:0000011","description":"Monosaccharides, disaccharides, oligosaccharides, polysaccharides, and their derivatives."},"ancestors":["1-hydroxy-4-unsubstituted benzenoids","Acetals","Acyloins","Alcohols and polyols","Alpha-hydroxy ketones","Anthracenes","Aryl alkyl ketones","Aryl ketones","Benzenoids","Beta-hydroxy ketones","Carbohydrates and carbohydrate conjugates","Carbonyl compounds","Carboxylic acid derivatives","Carboxylic acid esters","Carboxylic acids and derivatives","Chemical entities","Dialkyl ethers","Ethers","Glycosyl compounds","Hydrocarbon derivatives","Ketones","Monocarboxylic acids and derivatives","Naphthalenes","Naphthols and derivatives","O-glycosyl compounds","Oligosaccharides","Organic acids and derivatives","Organic compounds","Organic oxides","Organic oxygen compounds","Organoheterocyclic compounds","Organooxygen compounds","Oxacyclic compounds","Oxanes","Phenols","Secondary alcohols","Tertiary alcohols","Tetralins","Vinylogous acids"],"superclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0004603","name":"Organic oxygen compounds","chemont_id":"CHEMONTID:0004603","description":"Organic compounds that contain one or more oxygen atoms."},"description":"This compound belongs to the class of organic compounds known as oligosaccharides. 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