{"id":6454,"npaid":"NPA006454","original_name":"Terretrione D","mol_formula":"C16H20N2O3","mol_weight":"288.3470","exact_mass":"288.1474","inchikey":"UPLLAHJXKAOMHF-STQMWFEESA-N","smiles":"CC(C)[C@H]1C(=O)N(C(=O)[C@H](C(=O)N1)CC2=CC=CC=C2)C","cluster_id":26,"node_id":25,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C16H20N2O3/c1-10(2)13-16(21)18(3)15(20)12(14(19)17-13)9-11-7-5-4-6-8-11/h4-8,10,12-13H,9H2,1-3H3,(H,17,19)/t12-,13-/m0/s1","m_plus_h":"289.1547","m_plus_na":"311.1366","origin_reference":{"doi":"10.3390/md13041698","pmid":25815893,"authors":"Shaala, Lamiaa; Youssef, Diaa","title":"Identification and Bioactivity of Compounds from the Fungus Penicillium sp. CYE-87 Isolated from a Marine Tunicate","journal":"Marine Drugs","year":2015,"volume":"13","issue":"4","pages":"1698-1709"},"origin_organism":{"id":3145,"type":"Fungus","genus":"Penicillium","species":"sp. 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Pnictogens are p-block element atoms that are in the group 15 of the periodic table."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000278","name":"Organonitrogen compounds","chemont_id":"CHEMONTID:0000278","description":"Organic compounds containing a nitrogen atom."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0003940","name":"Organic oxides","chemont_id":"CHEMONTID:0003940","description":"Organic compounds containing an oxide group."},{"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."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001831","name":"Carbonyl compounds","chemont_id":"CHEMONTID:0001831","description":"Organic compounds containing a carbonyl group, with the general structure RC(=O)R', where R=organyl, R'=H, N, O, organyl group or halide group."}],"molecular_framework":"Aromatic heteromonocyclic compounds","external_descriptors":[],"predicted_chebi_terms":["diazepine (CHEBI:47918)","dicarboximide (CHEBI:35356)","benzenes (CHEBI:22712)","carboximidic acid (CHEBI:48378)","dipolar compound (CHEBI:51151)","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)","carbonyl compound (CHEBI:36586)","organooxygen compound (CHEBI:36963)","chemical entity (CHEBI:24431)","organic heterocyclic compound (CHEBI:24532)","benzenoid aromatic compound (CHEBI:33836)","nitrogen molecular entity (CHEBI:51143)","oxygen molecular entity (CHEBI:25806)","amino acid (CHEBI:33709)","peptide (CHEBI:16670)"],"classification_version":"2.1","predicted_lipidmaps_terms":[]},"npclassifier":{"isglycoside":false,"class_results":["Simple diketopiperazine alkaloids"],"pathway_results":["Alkaloids","Amino acids and Peptides"],"superclass_results":["Peptide alkaloids"]}}