{"id":26677,"npaid":"NPA026677","original_name":"10-epi-HSAF","mol_formula":"C29H40N2O6","mol_weight":"512.6470","exact_mass":"512.2886","inchikey":"VYCDZNHSSDXACI-KZDBETSCSA-N","smiles":"CCC1C[C@H]2C[C@@H]3[C@H]([C@H](O)C[C@@H]4/C=C/C(O)=C5C(=O)N[C@H](C5=O)[C@@H](O)CCNC(=O)/C=C\\C[C@H]43)[C@H]2[C@@H]1C","cluster_id":43,"node_id":41,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C29H40N2O6/c1-3-15-11-17-12-19-18-5-4-6-23(35)30-10-9-21(33)27-28(36)26(29(37)31-27)20(32)8-7-16(18)13-22(34)25(19)24(17)14(15)2/h4,6-8,14-19,21-22,24-25,27,32-34H,3,5,9-13H2,1-2H3,(H,30,35)(H,31,37)/b6-4-,8-7+,26-20?/t14-,15?,16+,17+,18-,19+,21+,22-,24+,25-,27+/m1/s1","m_plus_h":"513.2959","m_plus_na":"535.2778","origin_reference":{"doi":"10.3390/md17120663","pmid":31775228,"authors":"Liu, Wei; Zhang, Wenjun; Jin, Hongbo; Zhang, Qingbo; Chen, Yuchan; Jiang, Xiaodong; Zhang, Guangtao; Zhang, Liping; Zhang, Weimin; She, Zhigang; Zhang, Changsheng","title":"Genome mining of marine-derived Streptomyces sp. SCSIO 40010 leads to cytotoxic new polycyclic tetramate macrolactams","journal":"Marine Drugs","year":2019,"volume":"17","issue":"12","pages":null},"origin_organism":{"id":9564,"type":"Bacterium","genus":"Streptomyces","species":"sp. 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Ketones that have one or more alpha-hydrogen atoms undergo keto-enol tautomerization, the tautomer being an enol."},{"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. 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They contain at least one carbon atom and heteroatom."}],"molecular_framework":"Aliphatic heteropolycyclic compounds","external_descriptors":[],"predicted_chebi_terms":["enone (CHEBI:51689)","enol (CHEBI:33823)","pyrroline (CHEBI:23763)","carboximidic acid (CHEBI:48378)","secondary alcohol (CHEBI:35681)","ketone (CHEBI:17087)","organic hydroxy compound (CHEBI:33822)","dipolar compound (CHEBI:51151)","polyol (CHEBI:26191)","organonitrogen heterocyclic compound (CHEBI:38101)","pnictogen molecular entity (CHEBI:33302)","organic molecular entity (CHEBI:50860)","organonitrogen compound (CHEBI:35352)","organic oxide (CHEBI:25701)","organic molecule (CHEBI:72695)","monoterpenoid (CHEBI:25409)","chemical entity (CHEBI:24431)","organooxygen compound (CHEBI:36963)","organic heterocyclic compound (CHEBI:24532)","oxygen molecular entity (CHEBI:25806)","alcohol (CHEBI:30879)","carbonyl compound (CHEBI:36586)","nitrogen molecular entity (CHEBI:51143)","lipid (CHEBI:18059)","ether lipid (CHEBI:64611)"],"classification_version":"2.1","predicted_lipidmaps_terms":["C10 isoprenoids (monoterpenes) (PR0102)","Prenol Lipids (PR)"]},"npclassifier":{"isglycoside":false,"class_results":["Macrocyclic tetramic acids"],"pathway_results":["Amino acids and Peptides","Polyketides"],"superclass_results":["Macrolides"]}}