{"id":11391,"npaid":"NPA011391","original_name":"Rhizopodin","mol_formula":"C78H124N4O22","mol_weight":"1469.8560","exact_mass":"1468.8707","inchikey":"MWDPPGCTEBRUNT-QUJGBNPVSA-N","smiles":"C[C@H]([C@@H](OC)C[C@@H]1OC(=O)C[C@H](C[C@H](C=CC=CC[C@@H](C2=COC(=N2)CC(C([C@@H](OC(=O)C[C@H](C[C@H](C=CC=CC[C@@H](C3=COC(=N3)CC(C1(C)C)O)OC)OC)O)C[C@H](OC)[C@H](CCC(=O)[C@@H]([C@H](OC)C/C=C/N(C=O)C)C)C)(C)C)O)OC)OC)O)CCC(=O)[C@@H]([C@H](OC)C/C=C/N(C=O)C)C","cluster_id":4084,"node_id":3037,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C78H124N4O22/c1-51(33-35-61(87)53(3)63(95-13)31-25-37-81(9)49-83)67(99-17)43-71-77(5,6)69(89)45-73-79-59(47-101-73)65(97-15)29-23-20-22-28-58(94-12)40-56(86)42-76(92)104-72(44-68(100-18)52(2)34-36-62(88)54(4)64(96-14)32-26-38-82(10)50-84)78(7,8)70(90)46-74-80-60(48-102-74)66(98-16)30-24-19-21-27-57(93-11)39-55(85)41-75(91)103-71/h19-28,37-38,47-58,63-72,85-86,89-90H,29-36,39-46H2,1-18H3/b23-20?,24-19?,27-21?,28-22?,37-25+,38-26+/t51-,52-,53-,54-,55-,56-,57-,58-,63+,64+,65-,66-,67-,68-,69?,70?,71-,72-/m0/s1","m_plus_h":"1469.8780","m_plus_na":"1491.8599","origin_reference":{"doi":"10.7164/antibiotics.46.741","pmid":8514628,"authors":"SASSE, FLORENZ; STEINMETZ, HEINRICH; HÖFLE, GERHARD; REICHENBACH, HANS","title":"Rhizopodin, a new compound from Myxococcus stipitatus (myxobacteria) causes formation of rhizopodia-like structures in animal cell cultures. Production, isolation, physico-chemical and biological properties","journal":"Journal of Antibiotics","year":1993,"volume":"46","issue":"5","pages":"741-748"},"origin_organism":{"id":3997,"type":"Bacterium","genus":"Myxococcus","species":"stipitatus","taxon":{"id":185,"name":"Myxococcus","rank":"genus","taxon_db":"lpsn","external_id":"516145","ncbi_id":32,"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":168,"name":"Deltaproteobacteria","rank":"class","taxon_db":"lpsn","external_id":"0","ncbi_id":28221},{"id":169,"name":"Myxococcales","rank":"order","taxon_db":"lpsn","external_id":"0","ncbi_id":29},{"id":183,"name":"Myxococcaceae","rank":"family","taxon_db":"lpsn","external_id":"0","ncbi_id":31}]}},"syntheses":["10.1002/anie.201201946","10.1002/anie.201301978"],"reassignments":[],"mol_structures":[{"current_structure":true,"reference_doi":"10.7164/antibiotics.46.741","structure_smiles":"C[C@H]([C@@H](OC)C[C@@H]1OC(=O)C[C@H](C[C@H](C=CC=CC[C@@H](C2=COC(=N2)CC(C([C@@H](OC(=O)C[C@H](C[C@H](C=CC=CC[C@@H](C3=COC(=N3)CC(C1(C)C)O)OC)OC)O)C[C@H](OC)[C@H](CCC(=O)[C@@H]([C@H](OC)C/C=C/N(C=O)C)C)C)(C)C)O)OC)OC)O)CCC(=O)[C@@H]([C@H](OC)C/C=C/N(C=O)C)C","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"mibig","external_db_code":"BGC0001111"},{"external_db_name":"npmrd","external_db_code":"NP0022991"}],"classyfire":{"class":{"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."},"smiles":"[H]\\C(C[C@@]([H])(OC)[C@@]([H])(C)C(=O)CC[C@]([H])(C)[C@]([H])(C[C@]1([H])OC(=O)C[C@@]([H])(O)C[C@@]([H])(OC)C([H])=C([H])C([H])=C([H])C[C@]([H])(OC)C2=COC(CC([H])(O)C(C)(C)[C@]([H])(C[C@]([H])(OC)[C@@]([H])(C)CCC(=O)[C@]([H])(C)[C@@]([H])(C\\C([H])=C(/[H])N(C)C=O)OC)OC(=O)C[C@@]([H])(O)C[C@@]([H])(OC)C([H])=C([H])C([H])=C([H])C[C@]([H])(OC)C3=COC(CC([H])(O)C1(C)C)=N3)=N2)OC)=C(\\[H])N(C)C=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=MWDPPGCTEBRUNT-QUJGBNPVSA-N","subclass":null,"ancestors":["Alcohols and polyols","Azacyclic compounds","Azoles","Carbonyl compounds","Carboxylic acid amides","Carboxylic acid derivatives","Carboxylic acid esters","Carboxylic acids and derivatives","Chemical entities","Dialkyl ethers","Dicarboxylic acids and derivatives","Ethers","Heteroaromatic compounds","Hydrocarbon derivatives","Ketones","Lactones","Macrolides and analogues","Organic acids and derivatives","Organic compounds","Organic nitrogen compounds","Organic oxides","Organic oxygen compounds","Organoheterocyclic compounds","Organonitrogen compounds","Organooxygen compounds","Organopnictogen compounds","Oxacyclic compounds","Oxazoles","Phenylpropanoids and polyketides","Polyols","Secondary alcohols","Tertiary carboxylic acid amides"],"superclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000261","name":"Phenylpropanoids and polyketides","chemont_id":"CHEMONTID:0000261","description":"Organic compounds that are synthesized either from the amino acid phenylalanine (phenylpropanoids) or the decarboxylative condensation of malonyl-CoA (polyketides). Phenylpropanoids are aromatic compounds based on the phenylpropane skeleton. Polyketides usually consist of alternating carbonyl and methylene groups (beta-polyketones), biogenetically derived from repeated condensation of acetyl coenzyme A (via malonyl coenzyme A), and usually the compounds derived from them by further condensations."},"description":"This compound belongs to the class of organic compounds known as macrolides and analogues. 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Isomers include 1,2-oxazole and 1,3-oxazole."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0004144","name":"Heteroaromatic compounds","chemont_id":"CHEMONTID:0004144","description":"Compounds containing an aromatic ring where a carbon atom is linked to an hetero atom."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001661","name":"Secondary alcohols","chemont_id":"CHEMONTID:0001661","description":"Compounds containing a secondary alcohol functional group, with the general structure HOC(R)(R') (R,R'=alkyl, aryl)."},{"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/C0000118","name":"Ketones","chemont_id":"CHEMONTID:0000118","description":"Organic compounds  in which a carbonyl group is bonded to two carbon atoms R2C=O (neither R may be a hydrogen atom). 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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."}],"molecular_framework":"Aromatic heteropolycyclic compounds","external_descriptors":[],"predicted_chebi_terms":["dicarboxylic acid (CHEBI:35692)","carboxamide (CHEBI:37622)","oxazole (CHEBI:35790)","organic aromatic compound (CHEBI:33659)","secondary alcohol (CHEBI:35681)","lactone (CHEBI:25000)","ketone (CHEBI:17087)","carboxylic ester (CHEBI:33308)","polyol (CHEBI:26191)","oxacycle (CHEBI:38104)","ether (CHEBI:25698)","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)","macrolide (CHEBI:25106)","chemical entity (CHEBI:24431)","organooxygen compound (CHEBI:36963)","amide (CHEBI:32988)","organic heterocyclic compound (CHEBI:24532)","azole (CHEBI:68452)","oxygen molecular entity (CHEBI:25806)","organic hydroxy compound (CHEBI:33822)","alcohol (CHEBI:30879)","carbonyl compound (CHEBI:36586)","nitrogen molecular entity (CHEBI:51143)"],"classification_version":"2.1","predicted_lipidmaps_terms":["Dicarboxylic acids (FA0117)","Macrolides and lactone polyketides (PK04)"]},"npclassifier":{"isglycoside":false,"class_results":["Polyene macrolides"],"pathway_results":["Polyketides"],"superclass_results":["Macrolides"]}}