{"id":32807,"npaid":"NPA032807","original_name":"Syringafactin B","mol_formula":"C55H101N9O13","mol_weight":"1096.4630","exact_mass":"1095.7519","inchikey":"YTLIJXLOYNCCOO-UHFFFAOYSA-N","smiles":"CCCCCCCC(O)CC(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(CCC(N)=O)C(=O)NC(CC(C)C)C(=O)NC(C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)O)C(C)O","cluster_id":248,"node_id":11,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C55H101N9O13/c1-15-16-17-18-19-20-37(66)29-46(68)57-39(23-30(2)3)49(70)60-40(24-31(4)5)50(71)58-38(21-22-45(56)67)48(69)59-43(27-34(10)11)53(74)64-47(36(14)65)54(75)62-42(26-33(8)9)51(72)61-41(25-32(6)7)52(73)63-44(55(76)77)28-35(12)13/h30-44,47,65-66H,15-29H2,1-14H3,(H2,56,67)(H,57,68)(H,58,71)(H,59,69)(H,60,70)(H,61,72)(H,62,75)(H,63,73)(H,64,74)(H,76,77)","m_plus_h":"1096.7592","m_plus_na":"1118.7411","origin_reference":{"doi":"10.1128/JB.00725-07","pmid":17601782,"authors":"Berti, Andrew D.; Greve, Nathan J.; Christensen, Quin H.; Thomas, Michael G.","title":"Identification of a biosynthetic gene cluster and the six associated lipopeptides involved in swarming motility of Pseudomonas syringae pv. tomato DC3000","journal":"Journal of Bacteriology","year":2007,"volume":"189","issue":"17","pages":"6312-6323"},"origin_organism":{"id":10638,"type":"Bacterium","genus":"Pseudomonas","species":"syringae pv. tomato DC3000","taxon":{"id":86,"name":"Pseudomonas","rank":"genus","taxon_db":"lpsn","external_id":"517405","ncbi_id":286,"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":79,"name":"Gammaproteobacteria","rank":"class","taxon_db":"lpsn","external_id":"0","ncbi_id":1236},{"id":80,"name":"Pseudomonadales","rank":"order","taxon_db":"lpsn","external_id":"0","ncbi_id":72274},{"id":84,"name":"Pseudomonadaceae","rank":"family","taxon_db":"lpsn","external_id":"0","ncbi_id":135621}]}},"syntheses":[],"reassignments":[],"mol_structures":[{"current_structure":true,"reference_doi":"10.1128/JB.00725-07","structure_smiles":"CCCCCCCC(O)CC(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(CCC(N)=O)C(=O)NC(CC(C)C)C(=O)NC(C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)O)C(C)O","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[],"classyfire":null}