{"id":19421,"npaid":"NPA019421","original_name":"Sch 601324","mol_formula":"C32H54O9S","mol_weight":"614.8420","exact_mass":"614.3489","inchikey":"YRUAGJPMNPEUMY-MEGYRDQLSA-N","smiles":"C[C@H](CCC(C(C)(COS(=O)(=O)O)O)O)[C@]1(CC[C@@]2([C@@]1(CCC3=C2CCC4[C@@]3(CC[C@@H](C4(C)C)OC(=O)C)C)C)C)O","cluster_id":2502,"node_id":163,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C32H54O9S/c1-20(9-12-25(34)30(7,35)19-40-42(37,38)39)32(36)18-17-29(6)23-10-11-24-27(3,4)26(41-21(2)33)14-15-28(24,5)22(23)13-16-31(29,32)8/h20,24-26,34-36H,9-19H2,1-8H3,(H,37,38,39)/t20-,24?,25?,26+,28-,29+,30?,31+,32+/m1/s1","m_plus_h":"615.3562","m_plus_na":"637.3381","origin_reference":{"doi":"10.7164/antibiotics.56.419","pmid":12817816,"authors":"YANG, SHU-WEI; BUEVICH, ALEXEI; CHAN, TZE-MING; TERRACCIANO, JOSEPH; CHEN, GUODONG; LOEBENBERG, DAVID; PATEL, MAHESH; BOEHM, ERIC; GULLO, VINCENT; PRAMANIK, BIRENDRA; CHU, MIN","title":"A New Antifungal Sterol Sulfate, Sch 601324, from Chrysosporium sp","journal":"Journal of Antibiotics","year":2003,"volume":"56","issue":"4","pages":"419-422"},"origin_organism":{"id":3805,"type":"Fungus","genus":"Chrysosporium","species":"sp.","taxon":{"id":1218,"name":"Chrysosporium","rank":"genus","taxon_db":"mycobank","external_id":"7645","ncbi_id":40411,"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":1212,"name":"Eurotiomycetes","rank":"class","taxon_db":"mycobank","external_id":"501483","ncbi_id":147545},{"id":1213,"name":"Onygenales","rank":"order","taxon_db":"mycobank","external_id":"90487","ncbi_id":33183},{"id":1214,"name":"Onygenaceae","rank":"family","taxon_db":"mycobank","external_id":"701074","ncbi_id":33184}]}},"syntheses":[],"reassignments":[],"mol_structures":[{"current_structure":true,"reference_doi":"10.7164/antibiotics.56.419","structure_smiles":"C[C@H](CCC(C(C)(COS(=O)(=O)O)O)O)[C@]1(CC[C@@]2([C@@]1(CCC3=C2CCC4[C@@]3(CC[C@@H](C4(C)C)OC(=O)C)C)C)C)O","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"npmrd","external_db_code":"NP0004644"}],"classyfire":{"class":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000259","name":"Prenol lipids","chemont_id":"CHEMONTID:0000259","description":"Lipids synthesized from the five-carbon-unit precursors isopentenyl diphosphate and dimethylallyl diphosphate."},"smiles":"C[C@H](CCC(O)C(C)(O)COS(O)(=O)=O)[C@@]1(O)CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](OC(C)=O)C(C)(C)C1CC3","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=YRUAGJPMNPEUMY-MEGYRDQLSA-N","subclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001553","name":"Triterpenoids","chemont_id":"CHEMONTID:0001553","description":"Terpene molecules containing six isoprene units."},"ancestors":["14-alpha-methylsteroids","17-hydroxysteroids","Alcohols and polyols","Alkyl sulfates","Bile acids, alcohols and derivatives","Carbonyl compounds","Carboxylic acid derivatives","Carboxylic acid esters","Carboxylic acids and derivatives","Chemical entities","Cyclic alcohols and derivatives","Hydrocarbon derivatives","Hydroxy bile acids, alcohols and derivatives","Hydroxysteroids","Lipids and lipid-like molecules","Monocarboxylic acids and derivatives","Organic acids and derivatives","Organic compounds","Organic oxides","Organic oxygen compounds","Organic sulfuric acids and derivatives","Organooxygen compounds","Prenol lipids","Secondary alcohols","Steroid esters","Steroids and steroid derivatives","Sulfated steroids","Sulfuric acid esters","Sulfuric acid monoesters","Tertiary alcohols","Trihydroxy bile acids, alcohols and derivatives","Triterpenoids"],"superclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000012","name":"Lipids and lipid-like molecules","chemont_id":"CHEMONTID:0000012","description":"Fatty acids and their derivatives, and substances related biosynthetically or functionally to these compounds."},"description":"This compound belongs to the class of organic compounds known as triterpenoids. 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