{"id":33005,"npaid":"NPA033005","original_name":"Kitacinnamycin A","mol_formula":"C66H94N10O24","mol_weight":"1411.5240","exact_mass":"1410.6442","inchikey":"BUBGDTLTOWELPL-IAPKEWSDSA-N","smiles":"CC(C)C[C@@H]1NC(=O)[C@@H](C(C)C)NC(=O)CNC(=O)CNC(=O)[C@@H](C(C)C)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](NC(=O)/C=C/C2=CC=CC=C2/C=C/C(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@H](CO)[C@@H](O)C(O)[C@H]2O)[C@@H](C)OC1=O","cluster_id":1498,"node_id":1230,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C66H94N10O24/c1-30(2)23-40-64(95)96-34(9)51(73-44(80)21-19-36-17-13-14-18-37(36)20-22-47(83)99-66-57(55(87)53(85)42(29-78)98-66)100-65-56(88)54(86)52(84)41(28-77)97-65)63(94)71-39(25-43(67)79)59(90)76-50(33(7)8)62(93)70-38(24-35-15-11-10-12-16-35)58(89)75-48(31(3)4)60(91)69-26-45(81)68-27-46(82)74-49(32(5)6)61(92)72-40/h10-22,30-34,38-42,48-57,65-66,77-78,84-88H,23-29H2,1-9H3,(H2,67,79)(H,68,81)(H,69,91)(H,70,93)(H,71,94)(H,72,92)(H,73,80)(H,74,82)(H,75,89)(H,76,90)/b21-19+,22-20+/t34-,38+,39-,40+,41-,42-,48-,49-,50-,51-,52-,53-,54?,55+,56-,57-,65+,66+/m1/s1","m_plus_h":"1411.6515","m_plus_na":"1433.6334","origin_reference":{"doi":"10.1039/c9sc00815b","pmid":null,"authors":"Shi, Jing; Liu, Cheng Li; Zhang, Bo; Guo, Wen Jie; Zhu, Jiapeng; Chang, Chin-Yuan; Zhao, Er Juan; Jiao, Rui Hua; Tan, Ren Xiang; Ge, Hui Ming","title":"Genome mining and biosynthesis of kitacinnamycins as a STING activator.","journal":"Chemical Science","year":2019,"volume":"10","issue":"18","pages":"4839-4846"},"origin_organism":{"id":9504,"type":"Bacterium","genus":"Kitasatospora","species":"sp. 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The residues are commonly but not necessarily regularly alternating."},"intermediate_nodes":[],"alternative_parents":[{"url":"http://classyfire.wishartlab.com/tax_nodes/C0003479","name":"O-cinnamoyl glycosides","chemont_id":"CHEMONTID:0003479","description":"O-glycoside derivatives of cinnamic acid. 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They are nitrogen analogues (the a nitrogen atom replacing the o atom of the cyclic carboxylic acid group ) of the naturally occurring macrolides."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000394","name":"Alpha amino acid esters","chemont_id":"CHEMONTID:0000394","description":"Ester derivatives of alpha amino acids."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0002810","name":"Cinnamic acid amides","chemont_id":"CHEMONTID:0002810","description":"Amides of cinnamic acids. Cinnamic acid is an aromatic compound containing a benzene and a carboxylic acid group forming 3-phenylprop-2-enoic acid."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0002309","name":"Alpha amino acid amides","chemont_id":"CHEMONTID:0002309","description":"Amide derivatives of alpha amino acids."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0002125","name":"Alkyl glycosides","chemont_id":"CHEMONTID:0002125","description":"Lipids containing a glycosyl moiety (one or several units) linked to the hydroxyl group of a fatty alcohol."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000324","name":"Fatty acid esters","chemont_id":"CHEMONTID:0000324","description":"Carboxylic ester derivatives of a fatty acid."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0002012","name":"Oxanes","chemont_id":"CHEMONTID:0002012","description":"Compounds containing an oxane (tetrahydropyran) ring, which is a six-member saturated aliphatic heterocycle with one oxygen atom and five carbon atoms."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001096","name":"N-acyl amines","chemont_id":"CHEMONTID:0001096","description":"Compounds containing a fatty acid moiety linked to an amine group through an ester linkage."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001540","name":"Monosaccharides","chemont_id":"CHEMONTID:0001540","description":"Compounds containing one carbohydrate unit not glycosidically linked to another such unit, and no set of two or more glycosidically linked carbohydrate units. Monosaccharides have the general formula CnH2nOn."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000346","name":"Dicarboxylic acids and derivatives","chemont_id":"CHEMONTID:0000346","description":"Organic compounds containing exactly two carboxylic acid groups."},{"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."},{"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/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/C0000050","name":"Lactones","chemont_id":"CHEMONTID:0000050","description":"Cyclic esters of hydroxy carboxylic acids, containing a 1-oxacycloalkan-2-one structure, or analogues having unsaturation or heteroatoms replacing one or more carbon atoms of the ring."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000160","name":"Lactams","chemont_id":"CHEMONTID:0000160","description":"Compounds containing a lactam ring, which is a cyclic amide of amino carboxylic acids, having a 1-azacycloalkan-2-one structure (or an analogue having unsaturation or heteroatoms replacing one or more carbon atoms of the ring)."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0002286","name":"Polyols","chemont_id":"CHEMONTID:0002286","description":"Organic compounds containing more than one hydroxyl groups."},{"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/C0000475","name":"Carboxylic acid amides","chemont_id":"CHEMONTID:0000475","description":"Carboxylic acid derivatives containing a carbonyl group in which the carbon atom is linked to a nitrogen atom (substituted or not). 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