{"id":13451,"npaid":"NPA013451","original_name":"4-Dodecanolide","mol_formula":"C12H22O2","mol_weight":"198.3060","exact_mass":"198.1620","inchikey":"WGPCZPLRVAWXPW-UHFFFAOYSA-N","smiles":"CCCCCCCCC1CCC(=O)O1","cluster_id":16,"node_id":16,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C12H22O2/c1-2-3-4-5-6-7-8-11-9-10-12(13)14-11/h11H,2-10H2,1H3","m_plus_h":"199.1693","m_plus_na":"221.1512","origin_reference":{"doi":"10.1007/bf01022323","pmid":null,"authors":"Chalier, P; Crouzet, J","title":"Production of lactones by Penicillium roqueforti","journal":"Biotechnology Letters","year":1992,"volume":"14","issue":"4","pages":"275-280"},"origin_organism":{"id":523,"type":"Bacterium","genus":"Streptomyces","species":"sp. strain GWS-BW-H5","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":["10.1177/1934578X1501001024"],"reassignments":[],"mol_structures":[{"current_structure":true,"reference_doi":"10.1007/bf01022323","structure_smiles":"CCCCCCCCC1CCC(=O)O1","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"gnps","external_db_code":"CCMSLIB00012086927%Suspect related to .gamma.-Dodecalactone (predicted molecular formula SIRIUS: unknown / BUDDY: unknown) with delta m/z 84.094 (putative explanation: unspecified; atomic difference: unspecified) [M-H2O+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00000213684%3%Massbank:FIO00055&gamma-Dodecalactone"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00000213686%3%Massbank:FIO00056&gamma-Dodecalactone"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00000215167%3%Massbank:FIO00054&gamma-Dodecalactone"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00000215169%3%Massbank:FIO00055&gamma-Dodecalactone"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00000215171%3%Massbank:FIO00056&gamma-Dodecalactone"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009926703%Suspect related to .gamma.-Dodecalactone (predicted molecular formula: C12H20O) with delta m/z -18.011 (putative explanation: Dehydration|Pyro-glu from E|carbodiimide crosslinker; atomic difference: -2H,-1O|-2H,-1O|-2H,-1O)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009926704%Suspect related to .gamma.-Dodecalactone (predicted molecular formula: CH13N9O) with delta m/z -14.016 (putative explanation: Ala->Gly substitution|Gln->Asn substitution|Glu->Asp substitution|Leu/Ile->Val substitution|Thr->Ser substitution; atomic difference: -1C,-2H|-1C,-2H|-1C,-2H|-1C,-2H|-1C,-2H)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009926705%Suspect related to .gamma.-Dodecalactone (predicted molecular formula: C13H24O2) with delta m/z 14.016 (putative explanation: Asn->Gln substitution|Asp->Glu substitution|Gly->Ala substitution|Methylation|Ser->Thr substitution|Val->Leu/Ile substitution|chain elongation; atomic difference: 1C,2H|1C,2H|1C,2H|1C,2H|1C,2H|1C,2H|1C,2H)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009926706%Suspect related to .gamma.-Dodecalactone (predicted molecular formula: C12H24O3) with delta m/z 18.01 (putative explanation: Proline oxidation to 5-hydroxy-2-aminovaleric acid|water; atomic difference: 2H,1O|2H,1O)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009926707%Suspect related to .gamma.-Dodecalactone (predicted molecular formula: C14H26O2) with delta m/z 28.031 (putative explanation: Acetaldehyde +28|Ala->Val substitution|Cys->Met substitution|Ethylation|di-Methylation; atomic difference: 2C,4H|2C,4H|2C,4H|2C,4H|2C,4H)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009926708%Suspect related to .gamma.-Dodecalactone (predicted molecular formula: C16H28O) with delta m/z 38.051 (putative explanation: unspecified; atomic difference: unspecified)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009926709%Suspect related to .gamma.-Dodecalactone (predicted molecular formula: C16H30O2) with delta m/z 56.062 (putative explanation: Diethylation, analogous to Dimethylation|Gly->Leu/Ile substitution; atomic difference: 4C,8H|4C,8H)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009926710%Suspect related to .gamma.-Dodecalactone (predicted molecular formula: C12H20O2) with delta m/z -2.016 (putative explanation: 2-amino-3-oxo-butanoic_acid|Intact disulfide bridge|Val->Pro substitution; atomic difference: -2H|-2H|-2H)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009926711%Suspect related to .gamma.-Dodecalactone (predicted molecular formula: C9H20N3O2) with delta m/z 3.995 (putative explanation: Pro->Thr substitution|tryptophan oxidation to kynurenin|Oxidative cleavage; atomic difference: -1C,1O|-1C,1O|1O,-1C)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009926712%Suspect related to .gamma.-Dodecalactone (predicted molecular formula: C12H22O3) with delta m/z 15.995 (putative explanation: Ala->Ser substitution|Oxidation or Hydroxylation|Phe->Tyr substitution; atomic difference: 1O|1O|1O)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009926713%Suspect related to .gamma.-Dodecalactone (predicted molecular formula: C11H20O4) with delta m/z 17.973 (putative explanation: Pro->Asp substitution; atomic difference: -1C,-2H,2O)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009926714%Suspect related to .gamma.-Dodecalactone (predicted molecular formula: C13H20O3) with delta m/z 25.979 (putative explanation: unspecified; atomic difference: unspecified)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009926715%Suspect related to .gamma.-Dodecalactone (predicted molecular formula: C14H22O) with delta m/z 26.016 (putative explanation: Acetaldehyde +26|Ala->Pro substitution|unspecified; atomic difference: 2C,2H|2C,2H|2C,2H)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009926716%Suspect related to .gamma.-Dodecalactone (predicted molecular formula: C14H24O) with delta m/z 28.031 (putative explanation: Acetaldehyde +28|Ala->Val substitution|Cys->Met substitution|Ethylation|di-Methylation; atomic difference: 2C,4H|2C,4H|2C,4H|2C,4H|2C,4H)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009926717%Suspect related to .gamma.-Dodecalactone (predicted molecular formula: C15H26O2) with delta m/z 40.031 (putative explanation: Gly->Pro substitution|Propionaldehyde +40|unspecified; atomic difference: 3C,4H|3C,4H|3C,4H)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009926718%Suspect related to .gamma.-Dodecalactone (predicted molecular formula: C15H28O2) with delta m/z 42.047 (putative explanation: Ala->Leu/Ile substitution|Gly->Val substitution|Propyl|tri-Methylation|unspecified; atomic difference: 3C,6H|3C,6H|3C,6H|3C,6H|3C,H6)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009926719%Suspect related to .gamma.-Dodecalactone (predicted molecular formula: C15H20O3) with delta m/z 49.982 (putative explanation: Leu/Ile->Tyr substitution; atomic difference: 3C,-2H,1O)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009926720%Suspect related to .gamma.-Dodecalactone (predicted molecular formula: C12H22O6) with delta m/z 63.981 (putative explanation: Tryptophan oxidation to dihydroxy-N-formaylkynurenine|unspecified; atomic difference: 4O|4O)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009926721%Suspect related to .gamma.-Dodecalactone (predicted molecular formula: C16H35N4O3) with delta m/z 133.111 (putative explanation: unspecified; atomic difference: unspecified)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009926722%Suspect related to .gamma.-Dodecalactone (predicted molecular formula: C20H36O4) with delta m/z 142.099 (putative explanation: unspecified; atomic difference: unspecified)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009926723%Suspect related to .gamma.-Dodecalactone (predicted molecular formula: unknown) with delta m/z 28.031 (putative explanation: Acetaldehyde +28|Ala->Val substitution|Cys->Met substitution|Ethylation|di-Methylation; atomic difference: 2C,4H|2C,4H|2C,4H|2C,4H|2C,4H)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009926724%Suspect related to .gamma.-Dodecalactone (predicted molecular formula: unknown) with delta m/z 84.094 (putative explanation: unspecified; atomic difference: unspecified)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00000213682%3%Massbank:FIO00054&gamma-Dodecalactone"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012086906%Suspect related to .gamma.-Dodecalactone (predicted molecular formula SIRIUS: C12H20O / BUDDY: C12H20O) with delta m/z -18.011 (putative explanation: Dehydration|Pyro-glu from E|carbodiimide crosslinker; atomic difference: -2H,-1O|-2H,-1O|-2H,-1O) [M+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012086907%Suspect related to .gamma.-Dodecalactone (predicted molecular formula SIRIUS: CH13N9O / BUDDY: C11H20O2) with delta m/z -14.016 (putative explanation: Ala->Gly substitution|Gln->Asn substitution|Glu->Asp substitution|Leu/Ile->Val substitution|Thr->Ser substitution; atomic difference: -1C,-2H|-1C,-2H|-1C,-2H|-1C,-2H|-1C,-2H) [M+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012086908%Suspect related to .gamma.-Dodecalactone (predicted molecular formula SIRIUS: C13H24O2 / BUDDY: C13H24O2) with delta m/z 14.016 (putative explanation: Asn->Gln substitution|Asp->Glu substitution|Gly->Ala substitution|Methylation|Ser->Thr substitution|Val->Leu/Ile substitution|chain elongation; atomic difference: 1C,2H|1C,2H|1C,2H|1C,2H|1C,2H|1C,2H|1C,2H) [M+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012086909%Suspect related to .gamma.-Dodecalactone (predicted molecular formula SIRIUS: C12H24O3 / BUDDY: C12H24O3) with delta m/z 18.01 (putative explanation: Proline oxidation to 5-hydroxy-2-aminovaleric acid|water; atomic difference: 2H,1O|2H,1O) [M+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012086910%Suspect related to .gamma.-Dodecalactone (predicted molecular formula SIRIUS: C14H26O2 / BUDDY: C14H26O2) with delta m/z 28.031 (putative explanation: Acetaldehyde +28|Ala->Val substitution|Cys->Met substitution|Ethylation|di-Methylation; atomic difference: 2C,4H|2C,4H|2C,4H|2C,4H|2C,4H) [M+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012086911%Suspect related to .gamma.-Dodecalactone (predicted molecular formula SIRIUS: C16H28O / BUDDY: C16H28O) with delta m/z 38.051 (putative explanation: unspecified; atomic difference: unspecified) [M+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012086912%Suspect related to .gamma.-Dodecalactone (predicted molecular formula SIRIUS: C16H30O2 / BUDDY: C16H30O2) with delta m/z 56.062 (putative explanation: Diethylation, analogous to Dimethylation|Gly->Leu/Ile substitution; atomic difference: 4C,8H|4C,8H) [M+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012086913%Suspect related to .gamma.-Dodecalactone (predicted molecular formula SIRIUS: C12H20O2 / BUDDY: C12H20O2) with delta m/z -2.016 (putative explanation: 2-amino-3-oxo-butanoic_acid|Intact disulfide bridge|Val->Pro substitution; atomic difference: -2H|-2H|-2H) [M-2H2O+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012086914%Suspect related to .gamma.-Dodecalactone (predicted molecular formula SIRIUS: C9H20N3O2 / BUDDY: C11H22O3) with delta m/z 3.995 (putative explanation: Pro->Thr substitution|tryptophan oxidation to kynurenin|Oxidative cleavage; atomic difference: -1C,1O|-1C,1O|1O,-1C) [M-2H2O+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012086915%Suspect related to .gamma.-Dodecalactone (predicted molecular formula SIRIUS: C12H22O3 / BUDDY: C12H22O3) with delta m/z 15.995 (putative explanation: Ala->Ser substitution|Oxidation or Hydroxylation|Phe->Tyr substitution; atomic difference: 1O|1O|1O) [M-2H2O+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012086916%Suspect related to .gamma.-Dodecalactone (predicted molecular formula SIRIUS: C11H20O4 / BUDDY: C11H20O4) with delta m/z 17.973 (putative explanation: Pro->Asp substitution; atomic difference: -1C,-2H,2O) [M-2H2O+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012086917%Suspect related to .gamma.-Dodecalactone (predicted molecular formula SIRIUS: C13H20O3 / BUDDY: C13H20O3) with delta m/z 25.979 (putative explanation: unspecified; atomic difference: unspecified) [M-2H2O+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012086918%Suspect related to .gamma.-Dodecalactone (predicted molecular formula SIRIUS: C14H22O / BUDDY: C14H24O2) with delta m/z 26.016 (putative explanation: Acetaldehyde +26|Ala->Pro substitution|unspecified; atomic difference: 2C,2H|2C,2H|2C,2H) [M-2H2O+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012086919%Suspect related to .gamma.-Dodecalactone (predicted molecular formula SIRIUS: C14H24O / BUDDY: C14H26O2) with delta m/z 28.031 (putative explanation: Acetaldehyde +28|Ala->Val substitution|Cys->Met substitution|Ethylation|di-Methylation; atomic difference: 2C,4H|2C,4H|2C,4H|2C,4H|2C,4H) [M-2H2O+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012086920%Suspect related to .gamma.-Dodecalactone (predicted molecular formula SIRIUS: C15H26O2 / BUDDY: C15H26O2) with delta m/z 40.031 (putative explanation: Gly->Pro substitution|Propionaldehyde +40|unspecified; atomic difference: 3C,4H|3C,4H|3C,4H) [M-2H2O+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012086921%Suspect related to .gamma.-Dodecalactone (predicted molecular formula SIRIUS: C15H28O2 / BUDDY: C15H28O2) with delta m/z 42.047 (putative explanation: Ala->Leu/Ile substitution|Gly->Val substitution|Propyl|tri-Methylation|unspecified; atomic difference: 3C,6H|3C,6H|3C,6H|3C,6H|3C,H6) [M-2H2O+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012086922%Suspect related to .gamma.-Dodecalactone (predicted molecular formula SIRIUS: C15H20O3 / BUDDY: C15H20O3) with delta m/z 49.982 (putative explanation: Leu/Ile->Tyr substitution; atomic difference: 3C,-2H,1O) [M-2H2O+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012086923%Suspect related to .gamma.-Dodecalactone (predicted molecular formula SIRIUS: C12H22O6 / BUDDY: C12H22O6) with delta m/z 63.981 (putative explanation: Tryptophan oxidation to dihydroxy-N-formaylkynurenine|unspecified; atomic difference: 4O|4O) [M-2H2O+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012086924%Suspect related to .gamma.-Dodecalactone (predicted molecular formula SIRIUS: C16H35N4O3 / BUDDY: C18H37NO4) with delta m/z 133.111 (putative explanation: unspecified; atomic difference: unspecified) [M-2H2O+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012086925%Suspect related to .gamma.-Dodecalactone (predicted molecular formula SIRIUS: C20H36O4 / BUDDY: C20H36O4) with delta m/z 142.099 (putative explanation: unspecified; atomic difference: unspecified) [M-2H2O+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012086926%Suspect related to .gamma.-Dodecalactone (predicted molecular formula SIRIUS: unknown / BUDDY: unknown) with delta m/z 28.031 (putative explanation: Acetaldehyde +28|Ala->Val substitution|Cys->Met substitution|Ethylation|di-Methylation; atomic difference: 2C,4H|2C,4H|2C,4H|2C,4H|2C,4H) [M-H2O+H]+%4"},{"external_db_name":"npmrd","external_db_code":"NP0298408"}],"classyfire":{"class":{"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."},"smiles":"CCCCCCCCC1CCC(=O)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=WGPCZPLRVAWXPW-UHFFFAOYSA-N","subclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001245","name":"Gamma butyrolactones","chemont_id":"CHEMONTID:0001245","description":"Compounds containing a gamma butyrolactone moiety, which consists of an aliphatic five-member ring with four carbon atoms, one oxygen atom, and bears a ketone group on the carbon adjacent to the oxygen atom."},"ancestors":["Carbonyl compounds","Carboxylic acid derivatives","Carboxylic acid esters","Carboxylic acids and derivatives","Chemical entities","Gamma butyrolactones","Hydrocarbon derivatives","Lactones","Monocarboxylic acids and derivatives","Organic acids and derivatives","Organic compounds","Organic oxides","Organic oxygen compounds","Organoheterocyclic compounds","Organooxygen compounds","Oxacyclic compounds","Tetrahydrofurans"],"superclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000002","name":"Organoheterocyclic compounds","chemont_id":"CHEMONTID:0000002","description":"Compounds containing a ring with least one carbon atom and one non-carbon atom."},"description":"This compound belongs to the class of organic compounds known as gamma butyrolactones. These are compounds containing a gamma butyrolactone moiety, which consists of an aliphatic five-member ring with four carbon atoms, one oxygen atom, and bears a ketone group on the carbon adjacent to the oxygen atom.","substituents":["Gamma butyrolactone","Tetrahydrofuran","Carboxylic acid ester","Oxacycle","Monocarboxylic acid or derivatives","Carboxylic acid derivative","Organic oxygen compound","Organic oxide","Hydrocarbon derivative","Organooxygen compound","Carbonyl group","Aliphatic heteromonocyclic compound"],"direct_parent":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001245","name":"Gamma butyrolactones","chemont_id":"CHEMONTID:0001245","description":"Compounds containing a gamma butyrolactone moiety, which consists of an aliphatic five-member ring with four carbon atoms, one oxygen atom, and bears a ketone group on the carbon adjacent to the oxygen atom."},"intermediate_nodes":[],"alternative_parents":[{"url":"http://classyfire.wishartlab.com/tax_nodes/C0002648","name":"Tetrahydrofurans","chemont_id":"CHEMONTID:0002648","description":"Heterocyclic compounds containing a saturated, aliphatic, five-membered ring where a carbon is replaced by an oxygen."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001238","name":"Carboxylic acid esters","chemont_id":"CHEMONTID:0001238","description":"Carboxylic acid derivatives in which the carbon atom from the carbonyl group is attached to an alkyl or an aryl moiety through an oxygen atom (forming an ester group)."},{"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/C0001137","name":"Monocarboxylic acids and derivatives","chemont_id":"CHEMONTID:0001137","description":"Carboxylic acids containing exactly one carboxyl groups."},{"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":"Aliphatic heteromonocyclic compounds","external_descriptors":[{"source":"LIPID MAPS","source_id":"LMFA07040042","annotations":["Lactones"]}],"predicted_chebi_terms":["oxolanes (CHEBI:26912)","carboxylic ester (CHEBI:33308)","oxacycle (CHEBI:38104)","carbonyl compound (CHEBI:36586)","organic oxide (CHEBI:25701)","organic molecule (CHEBI:72695)","gamma-lactone (CHEBI:37581)","chemical entity (CHEBI:24431)","organic heterocyclic compound (CHEBI:24532)","organooxygen compound (CHEBI:36963)","oxygen molecular entity (CHEBI:25806)","organic molecular entity (CHEBI:50860)","lactone (CHEBI:25000)"],"classification_version":"2.1","predicted_lipidmaps_terms":[]},"npclassifier":{"isglycoside":false,"class_results":["Lactones"],"pathway_results":["Fatty acids"],"superclass_results":["Fatty esters"]}}