{"id":5980,"npaid":"NPA005980","original_name":"(22E,24R)-3-acetoxy-19(10-->6)-abeo-ergosta-5,7,9,22-tetraen-3beta-OL","mol_formula":"C30H44O2","mol_weight":"436.6800","exact_mass":"436.3341","inchikey":"CDIFLIYDTJYBDO-JZDBMQJNSA-N","smiles":"CC1=C2C[C@H](CCC2=C3CC[C@]4([C@H](C3=C1)CC[C@@H]4[C@H](C)/C=C/[C@H](C)C(C)C)C)OC(=O)C","cluster_id":2859,"node_id":163,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C30H44O2/c1-18(2)19(3)8-9-20(4)28-12-13-29-27-16-21(5)26-17-23(32-22(6)31)10-11-24(26)25(27)14-15-30(28,29)7/h8-9,16,18-20,23,28-29H,10-15,17H2,1-7H3/b9-8+/t19-,20+,23-,28+,29-,30+/m0/s1","m_plus_h":"437.3414","m_plus_na":"459.3233","origin_reference":{"doi":"10.1177/1934578X0900401101","pmid":19967971,"authors":"Zhang, Wen; Draeger, Siegfried; Schulz, Barbara; Krohn, Karsten","title":"Ring B aromatic steroids from an endophytic fungus, Colletotrichum sp","journal":"Natural Product Communications","year":2009,"volume":"4","issue":"11","pages":"1449-1454"},"origin_organism":{"id":1514,"type":"Fungus","genus":"Colletotrichum","species":"sp.","taxon":{"id":1106,"name":"Colletotrichum","rank":"genus","taxon_db":"mycobank","external_id":"7737","ncbi_id":5455,"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":1104,"name":"Glomerellales","rank":"order","taxon_db":"mycobank","external_id":"515429","ncbi_id":1028384},{"id":1105,"name":"Glomerellaceae","rank":"family","taxon_db":"mycobank","external_id":"504454","ncbi_id":681950}]}},"syntheses":[],"reassignments":[],"mol_structures":[{"current_structure":true,"reference_doi":"10.1177/1934578X0900401101","structure_smiles":"CC1=C2C[C@H](CCC2=C3CC[C@]4([C@H](C3=C1)CC[C@@H]4[C@H](C)/C=C/[C@H](C)C(C)C)C)OC(=O)C","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"npmrd","external_db_code":"NP0008891"}],"classyfire":{"class":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000258","name":"Steroids and steroid derivatives","chemont_id":"CHEMONTID:0000258","description":"Compounds based on the cyclopenta[a]phenanthrene carbon skeleton, partially or completely hydrogenated; there are usually methyl groups at C-10 and C-13, and often an alkyl group at C-17. 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