{"id":9673,"npaid":"NPA009673","original_name":"Destruxin A","mol_formula":"C29H47N5O7","mol_weight":"577.7230","exact_mass":"577.3475","inchikey":"XIYSEKITPHTMJT-OCCJOITDSA-N","smiles":"CC[C@H](C)[C@H]1C(=O)N([C@H](C(=O)N([C@H](C(=O)NCCC(=O)O[C@@H](C(=O)N2CCC[C@H]2C(=O)N1)CC=C)C)C)C(C)C)C","cluster_id":26,"node_id":25,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C29H47N5O7/c1-9-12-21-27(38)34-16-11-13-20(34)26(37)31-23(18(5)10-2)28(39)33(8)24(17(3)4)29(40)32(7)19(6)25(36)30-15-14-22(35)41-21/h9,17-21,23-24H,1,10-16H2,2-8H3,(H,30,36)(H,31,37)/t18-,19-,20-,21+,23-,24-/m0/s1","m_plus_h":"578.3548","m_plus_na":"600.3367","origin_reference":{"doi":"10.1080/00021369.1966.10858636","pmid":null,"authors":"Suzuki, Akinori; Kuyama, Shimpei; Kdaira, Yoshinori; Tamura, Saburo","title":"Structural elucidation of destruxin A","journal":"Agricultural and Biological Chemistry","year":1966,"volume":"30","issue":"5","pages":"517-518"},"origin_organism":{"id":615,"type":"Fungus","genus":"Metarhizium","species":"anisopliae","taxon":{"id":947,"name":"Metarhizium","rank":"genus","taxon_db":"mycobank","external_id":"8912","ncbi_id":5529,"ancestors":[{"id":599,"name":"Eukarya","rank":"domain","taxon_db":"mycobank","external_id":"0","ncbi_id":2759},{"id":600,"name":"Fungi","rank":"kingdom","taxon_db":"mycobank","external_id":"90157","ncbi_id":4751},{"id":617,"name":"Ascomycota","rank":"phylum","taxon_db":"mycobank","external_id":"90031","ncbi_id":4890},{"id":879,"name":"Sordariomycetes","rank":"class","taxon_db":"mycobank","external_id":"90350","ncbi_id":147550},{"id":899,"name":"Hypocreales","rank":"order","taxon_db":"mycobank","external_id":"90477","ncbi_id":5125},{"id":938,"name":"Clavicipitaceae","rank":"family","taxon_db":"mycobank","external_id":"82061","ncbi_id":34397}]}},"syntheses":[],"reassignments":[],"mol_structures":[{"current_structure":true,"reference_doi":"10.1080/00021369.1966.10858636","structure_smiles":"CC[C@H](C)[C@H]1C(=O)N([C@H](C(=O)N([C@H](C(=O)NCCC(=O)O[C@@H](C(=O)N2CCC[C@H]2C(=O)N1)CC=C)C)C)C(C)C)C","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"mibig","external_db_code":"BGC0000337"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00004688311%3%destruxin&A"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00004688312%3%destruxin&A"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00004688313%3%destruxin&A"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00004708830%3%destruxin&A"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00004708831%3%destruxin&A"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00004708832%3%destruxin&A"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00004708833%3%destruxin&A"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00004708834%3%destruxin&A"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00004708835%3%destruxin&A"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00004708836%3%destruxin&A"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00004708837%3%destruxin&A"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00004708838%3%destruxin&A"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00004708839%3%destruxin&A"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00004708840%3%destruxin&A"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00004708841%3%destruxin&A"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00004708842%3%destruxin&A"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00004708843%3%destruxin&A"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00004708844%3%destruxin&A"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00000847629%NCGC00180336-03!16-butan-2-yl-10,11,14-trimethyl-13-propan-2-yl-3-prop-2-enyl-4-oxa-1,8,11,14,17-pen%1!CCMSLIB00000847630%NCGC00180336-03!16-butan-2-yl-10,11,14-trimethyl-13-propan-2-yl-3-prop-2-enyl-4-oxa-1,8,11,14,17-pen%1!CCMSLIB00000846440%NCGC00180336-03!16-butan-2-yl-10,11,14-trimethyl-13-propan-2-yl-3-prop-2-enyl-4-oxa-1,8,11,14,17-pen%1"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00005691877%Destruxin_A%3"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00005721707%NCGC00180336-03!16-butan-2-yl-10,11,14-trimethyl-13-propan-2-yl-3-prop-2-enyl-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosane-2,5,9,12,15,18-hexone [IIN-based on: CCMSLIB00000847629]%3"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00005721708%NCGC00180336-03!16-butan-2-yl-10,11,14-trimethyl-13-propan-2-yl-3-prop-2-enyl-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosane-2,5,9,12,15,18-hexone [IIN-based: Match]%3"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00005722537%NCGC00180336-03!16-butan-2-yl-10,11,14-trimethyl-13-propan-2-yl-3-prop-2-enyl-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosane-2,5,9,12,15,18-hexone [IIN-based on: CCMSLIB00000847629]%3"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00005722538%NCGC00180336-03!16-butan-2-yl-10,11,14-trimethyl-13-propan-2-yl-3-prop-2-enyl-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosane-2,5,9,12,15,18-hexone [IIN-based on: CCMSLIB00000847629]%3"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00005722539%NCGC00180336-03!16-butan-2-yl-10,11,14-trimethyl-13-propan-2-yl-3-prop-2-enyl-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosane-2,5,9,12,15,18-hexone [IIN-based: Match]%3"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00005722540%NCGC00180336-03!16-butan-2-yl-10,11,14-trimethyl-13-propan-2-yl-3-prop-2-enyl-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosane-2,5,9,12,15,18-hexone [IIN-based on: CCMSLIB00000847629]%3"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00005722541%NCGC00180336-03!16-butan-2-yl-10,11,14-trimethyl-13-propan-2-yl-3-prop-2-enyl-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosane-2,5,9,12,15,18-hexone [IIN-based on: CCMSLIB00000847629]%3"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00005489599%Destruxin A [IIN-based on: CCMSLIB00003183570]%3"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00005489600%Destruxin A [IIN-based on: CCMSLIB00003183570]%3"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00005489601%Destruxin A [IIN-based on: CCMSLIB00003183570]%3"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00005489602%Destruxin A [IIN-based: Match]%3"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00005489603%Destruxin A [IIN-based on: CCMSLIB00003183570]%3"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009945941%Suspect related to Destruxin A (predicted molecular formula: C31H54N6O7) with delta m/z 45.058 (putative explanation: unspecified; atomic difference: 2C,7H,1N)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009945942%Suspect related to Destruxin A (predicted molecular formula: C31H53N7O7) with delta m/z 58.051 (putative explanation: unspecified; atomic difference: 2C,6H,2N)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009969421%Suspect related to NCGC00180336-03!16-butan-2-yl-10,11,14-trimethyl-13-propan-2-yl-3-prop-2-enyl-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosane-2,5,9,12,15,18-hexone [IIN-based: Match] (predicted molecular formula: C28H45N5O7) 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":"CCMSLIB00009969422%Suspect related to NCGC00180336-03!16-butan-2-yl-10,11,14-trimethyl-13-propan-2-yl-3-prop-2-enyl-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosane-2,5,9,12,15,18-hexone [IIN-based: Match] (predicted molecular formula: C30H51N5O7) with delta m/z 16.031 (putative explanation: Pro->Leu/Ile substitution|unspecified; atomic difference: 1C,4H|1C,4H)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009969423%Suspect related to NCGC00180336-03!16-butan-2-yl-10,11,14-trimethyl-13-propan-2-yl-3-prop-2-enyl-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosane-2,5,9,12,15,18-hexone [IIN-based: Match] (predicted molecular formula: C30H49N5O8) with delta m/z 30.011 (putative explanation: Ala->Thr substitution|Gly->Ser substitution|desmethylation + reduction of sulfoxide|formaldehyde induced modifications|hydroxymethyl; atomic difference: 1C,2H,1O|1C,2H,1O|1C,2H,1O|1C,2H,1O|1C,2H,1O)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00004688310%3%destruxin&A"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009969425%Suspect related to NCGC00180336-03!16-butan-2-yl-10,11,14-trimethyl-13-propan-2-yl-3-prop-2-enyl-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosane-2,5,9,12,15,18-hexone [IIN-based: Match] (predicted molecular formula: C31H54N6O7) with delta m/z 45.058 (putative explanation: unspecified; atomic difference: 2C,7H,1N)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009969426%Suspect related to NCGC00180336-03!16-butan-2-yl-10,11,14-trimethyl-13-propan-2-yl-3-prop-2-enyl-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosane-2,5,9,12,15,18-hexone [IIN-based: Match] (predicted molecular formula: C28H47N5O11) with delta m/z 51.972 (putative explanation: unspecified; atomic difference: unspecified)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009969424%Suspect related to NCGC00180336-03!16-butan-2-yl-10,11,14-trimethyl-13-propan-2-yl-3-prop-2-enyl-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosane-2,5,9,12,15,18-hexone [IIN-based: Match] (predicted molecular formula: C30H45N9O5) with delta m/z 34.005 (putative explanation: Hydroxylation, epoxidation|unspecified; atomic difference: 2H,2O|2H,2O)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012129628%Suspect related to NCGC00180336-03!16-butan-2-yl-10,11,14-trimethyl-13-propan-2-yl-3-prop-2-enyl-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosane-2,5,9,12,15,18-hexone [IIN-based: Match] (predicted molecular formula SIRIUS: C31H54N6O7 / BUDDY: C31H54N6O7) with delta m/z 45.058 (putative explanation: unspecified; atomic difference: 2C,7H,1N) [M+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012129629%Suspect related to NCGC00180336-03!16-butan-2-yl-10,11,14-trimethyl-13-propan-2-yl-3-prop-2-enyl-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosane-2,5,9,12,15,18-hexone [IIN-based: Match] (predicted molecular formula SIRIUS: C28H47N5O11 / BUDDY: C34H47NO10) with delta m/z 51.972 (putative explanation: unspecified; atomic difference: unspecified) [M+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012106144%Suspect related to Destruxin A (predicted molecular formula SIRIUS: C31H54N6O7 / BUDDY: C35H58O9) with delta m/z 45.058 (putative explanation: unspecified; atomic difference: 2C,7H,1N) [M+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012106145%Suspect related to Destruxin A (predicted molecular formula SIRIUS: C31H53N7O7 / BUDDY: C35H57NO9) with delta m/z 58.051 (putative explanation: unspecified; atomic difference: 2C,6H,2N) [M+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012129624%Suspect related to NCGC00180336-03!16-butan-2-yl-10,11,14-trimethyl-13-propan-2-yl-3-prop-2-enyl-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosane-2,5,9,12,15,18-hexone [IIN-based: Match] (predicted molecular formula SIRIUS: C28H45N5O7 / BUDDY: C34H45NO6) 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":"CCMSLIB00012129625%Suspect related to NCGC00180336-03!16-butan-2-yl-10,11,14-trimethyl-13-propan-2-yl-3-prop-2-enyl-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosane-2,5,9,12,15,18-hexone [IIN-based: Match] (predicted molecular formula SIRIUS: C30H51N5O7 / BUDDY: C35H51N3O5) with delta m/z 16.031 (putative explanation: Pro->Leu/Ile substitution|unspecified; atomic difference: 1C,4H|1C,4H) [M+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012129626%Suspect related to NCGC00180336-03!16-butan-2-yl-10,11,14-trimethyl-13-propan-2-yl-3-prop-2-enyl-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosane-2,5,9,12,15,18-hexone [IIN-based: Match] (predicted molecular formula SIRIUS: C30H49N5O8 / BUDDY: C29H53NO12) with delta m/z 30.011 (putative explanation: Ala->Thr substitution|Gly->Ser substitution|desmethylation + reduction of sulfoxide|formaldehyde induced modifications|hydroxymethyl; atomic difference: 1C,2H,1O|1C,2H,1O|1C,2H,1O|1C,2H,1O|1C,2H,1O) [M+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012129627%Suspect related to NCGC00180336-03!16-butan-2-yl-10,11,14-trimethyl-13-propan-2-yl-3-prop-2-enyl-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosane-2,5,9,12,15,18-hexone [IIN-based: Match] (predicted molecular formula SIRIUS: C30H45N9O5 / BUDDY: C39H49NO5) with delta m/z 34.005 (putative explanation: Hydroxylation, epoxidation|unspecified; atomic difference: 2H,2O|2H,2O) [M+H]+%4"},{"external_db_name":"npmrd","external_db_code":"NP0234806"},{"external_db_name":"cmmc","external_db_code":"https://cmmc-kb.gnps2.org/structurepage/?inchikey=XIYSEKITPHTMJT-OCCJOITDSA-N"}],"classyfire":{"class":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001813","name":"Peptidomimetics","chemont_id":"CHEMONTID:0001813","description":"Compounds containing non-peptidic structural elements that is capable of mimicking or antagonizing the biological action(s) of a natural parent peptide."},"smiles":"CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC=C)OC(=O)CCNC(=O)[C@H](C)N(C)C(=O)[C@H](C(C)C)N(C)C1=O","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=XIYSEKITPHTMJT-OCCJOITDSA-N","subclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001961","name":"Depsipeptides","chemont_id":"CHEMONTID:0001961","description":"Natural or synthetic compounds having sequences of amino and hydroxy carboxylic acid residues (usually α-amino and α-hydroxy acids), commonly but not necessarily regularly alternating."},"ancestors":["Alpha amino acids and derivatives","Amino acids and derivatives","Amino acids, peptides, and analogues","Azacyclic compounds","Carbonyl compounds","Carboxylic acid amides","Carboxylic acid derivatives","Carboxylic acid esters","Carboxylic acids and derivatives","Chemical entities","Cyclic depsipeptides","Depsipeptides","Hydrocarbon derivatives","Lactams","Lactones","Macrolactams","Macrolide lactams","Macrolides and analogues","Monocarboxylic acids and derivatives","Organic acids and derivatives","Organic compounds","Organic nitrogen compounds","Organic oxides","Organic oxygen compounds","Organoheterocyclic compounds","Organonitrogen compounds","Organooxygen compounds","Organopnictogen compounds","Oxacyclic compounds","Peptidomimetics","Phenylpropanoids and polyketides","Pyrrolidines","Secondary carboxylic acid amides","Tertiary carboxylic acid amides"],"superclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000264","name":"Organic acids and derivatives","chemont_id":"CHEMONTID:0000264","description":"Compounds an organic acid or a derivative thereof."},"description":"This compound belongs to the class of organic compounds known as cyclic depsipeptides. These are natural or synthetic compounds having sequences of amino and hydroxy carboxylic acid residues (usually α-amino and α-hydroxy acids) connected in a ring. The residues are commonly but not necessarily regularly alternating.","substituents":["Cyclic depsipeptide","Macrolide lactam","Macrolactam","Macrolide","Alpha-amino acid or derivatives","Tertiary carboxylic acid amide","Pyrrolidine","Carboxamide group","Carboxylic acid ester","Lactam","Lactone","Secondary carboxylic acid amide","Carboxylic acid derivative","Oxacycle","Azacycle","Organoheterocyclic compound","Monocarboxylic acid or derivatives","Organic nitrogen compound","Hydrocarbon derivative","Organic oxide","Organopnictogen compound","Carbonyl group","Organic oxygen compound","Organooxygen compound","Organonitrogen compound","Aliphatic heteropolycyclic compound"],"direct_parent":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001994","name":"Cyclic depsipeptides","chemont_id":"CHEMONTID:0001994","description":"Natural or synthetic compounds having sequences of amino and hydroxy carboxylic acid residues (usually α-amino and α-hydroxy acids) connected in a ring. The residues are commonly but not necessarily regularly alternating."},"intermediate_nodes":[],"alternative_parents":[{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001900","name":"Macrolide lactams","chemont_id":"CHEMONTID:0001900","description":"Cyclic polyketides containing  both a cyclic amide and a cyclic ester group."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000147","name":"Macrolides and analogues","chemont_id":"CHEMONTID:0000147","description":"Organic compounds containing a lactone ring of at least twelve members."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000064","name":"Macrolactams","chemont_id":"CHEMONTID:0000064","description":"Cyclic amides of amino carboxylic acids, having a 1-azacycloalkan-2-one structure, or analogues having unsaturation or heteroatoms replacing one or more carbon atoms of the ring.  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/C0000060","name":"Alpha amino acids and derivatives","chemont_id":"CHEMONTID:0000060","description":"Amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001664","name":"Tertiary carboxylic acid amides","chemont_id":"CHEMONTID:0001664","description":"Compounds containing an amide derivative of carboxylic acid, with the general structure RN(R1)C(R2)=O (R1-R2 any atom but H)."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000218","name":"Pyrrolidines","chemont_id":"CHEMONTID:0000218","description":"Compounds containing a pyrrolidine ring, which is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001663","name":"Secondary carboxylic acid amides","chemont_id":"CHEMONTID:0001663","description":"Compounds containing a secondary carboxylic acid amide functional group, with the general structure RC(=O)N(R')H (R,R'=alkyl, aryl)."},{"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/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/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/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/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/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/C0003940","name":"Organic oxides","chemont_id":"CHEMONTID:0003940","description":"Organic compounds containing an oxide group."},{"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."},{"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/C0004557","name":"Organopnictogen compounds","chemont_id":"CHEMONTID:0004557","description":"Compounds containing a bond between carbon a pnictogen atom. Pnictogens are p-block element atoms that are in the group 15 of the periodic table."}],"molecular_framework":"Aliphatic heteropolycyclic compounds","external_descriptors":[],"predicted_chebi_terms":["lactam (CHEBI:24995)","macrolide (CHEBI:25106)","azamacrocycle (CHEBI:52898)","organonitrogen compound (CHEBI:35352)","organooxygen compound (CHEBI:36963)","carboxamide (CHEBI:37622)","pyrrolidines (CHEBI:38260)","carboxylic ester (CHEBI:33308)","lactone (CHEBI:25000)","oxacycle (CHEBI:38104)","organonitrogen heterocyclic compound (CHEBI:38101)","carbonyl compound (CHEBI:36586)","organic molecule (CHEBI:72695)","organic oxide (CHEBI:25701)","pnictogen molecular entity (CHEBI:33302)","organic molecular entity (CHEBI:50860)","cyclodepsipeptide (CHEBI:35213)","chemical entity (CHEBI:24431)","amino acid (CHEBI:33709)","peptide (CHEBI:16670)","amide (CHEBI:32988)","organic heterocyclic compound (CHEBI:24532)","oxygen molecular entity (CHEBI:25806)","nitrogen molecular entity (CHEBI:51143)","peptidomimetic (CHEBI:63175)","depsipeptide (CHEBI:23643)"],"classification_version":"2.1","predicted_lipidmaps_terms":["Macrolides and lactone polyketides (PK04)"]},"npclassifier":{"isglycoside":false,"class_results":["Cyclic peptides","Depsipeptides"],"pathway_results":["Amino acids and Peptides","Polyketides"],"superclass_results":["Oligopeptides"]}}