{"id":7771,"npaid":"NPA007771","original_name":"Polyporusterone G","mol_formula":"C28H44O5","mol_weight":"460.6550","exact_mass":"460.3189","inchikey":"JUHSHQMSDLSJCS-ZYEVRCEJSA-N","smiles":"C[C@@H]([C@H]1CC[C@@]2([C@@]1(CC[C@H]3C2=CC(=O)[C@H]4[C@@]3(C[C@@H]([C@@H](C4)O)O)C)C)O)[C@@H](CC(=C)C(C)C)O","cluster_id":912,"node_id":754,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C28H44O5/c1-15(2)16(3)11-22(29)17(4)18-8-10-28(33)20-12-23(30)21-13-24(31)25(32)14-26(21,5)19(20)7-9-27(18,28)6/h12,15,17-19,21-22,24-25,29,31-33H,3,7-11,13-14H2,1-2,4-6H3/t17-,18+,19-,21-,22+,24+,25-,26+,27+,28+/m0/s1","m_plus_h":"461.3262","m_plus_na":"483.3081","origin_reference":{"doi":"10.1248/cpb.40.143","pmid":1576664,"authors":"Ohsawa, T; Yukawa, M; Takao, C; Murayama, M; Bando, H","title":"Studies on constituents of fruit body of Polyporus umbellatus and their cytotoxic activity","journal":"Chemical and Pharmaceutical Bulletin","year":1992,"volume":"40","issue":"1","pages":"143-147"},"origin_organism":{"id":989,"type":"Fungus","genus":"Polyporus","species":"umbellatus","taxon":{"id":1567,"name":"Polyporus","rank":"genus","taxon_db":"mycobank","external_id":"18334","ncbi_id":5637,"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":1365,"name":"Basidiomycota","rank":"phylum","taxon_db":"mycobank","external_id":"90050","ncbi_id":5204},{"id":1366,"name":"Agaricomycetes","rank":"class","taxon_db":"mycobank","external_id":"501297","ncbi_id":155619},{"id":1511,"name":"Polyporales","rank":"order","taxon_db":"mycobank","external_id":"90565","ncbi_id":5303},{"id":1548,"name":"Polyporaceae","rank":"family","taxon_db":"mycobank","external_id":"81203","ncbi_id":5317}]}},"syntheses":[],"reassignments":[],"mol_structures":[{"current_structure":true,"reference_doi":"10.1248/cpb.40.143","structure_smiles":"C[C@@H]([C@H]1CC[C@@]2([C@@]1(CC[C@H]3C2=CC(=O)[C@H]4[C@@]3(C[C@@H]([C@@H](C4)O)O)C)C)O)[C@@H](CC(=C)C(C)C)O","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"npmrd","external_db_code":"NP0005747"}],"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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They contain at least one carbon atom and heteroatom."}],"molecular_framework":"Aliphatic homopolycyclic compounds","external_descriptors":[],"predicted_chebi_terms":["ergostanoid (CHEBI:50403)","ecdysteroid (CHEBI:23897)","6-oxo steroid (CHEBI:36883)","steroid (CHEBI:35341)","3beta-hydroxy steroid (CHEBI:36836)","14-hydroxy steroid (CHEBI:36860)","cyclohexenones (CHEBI:48953)","tertiary alcohol (CHEBI:26878)","secondary alcohol (CHEBI:35681)","organic hydroxy compound (CHEBI:33822)","polyol (CHEBI:26191)","organic oxide (CHEBI:25701)","organic molecule (CHEBI:72695)","bile acid (CHEBI:3098)","chemical entity (CHEBI:24431)","lipid (CHEBI:18059)","oxo steroid (CHEBI:35789)","hydroxy steroid (CHEBI:35350)","3-hydroxy steroid (CHEBI:36834)","oxygen molecular entity (CHEBI:25806)","organic molecular entity (CHEBI:50860)","organooxygen compound (CHEBI:36963)","carbonyl compound (CHEBI:36586)","ketone (CHEBI:17087)","cyclic ketone (CHEBI:3992)","alcohol (CHEBI:30879)"],"classification_version":"2.1","predicted_lipidmaps_terms":["Ergosterols and C24-methyl derivatives (ST0103)","Sterol Lipids (ST)","Bile acids and derivatives (ST04)"]},"npclassifier":{"isglycoside":false,"class_results":["Ecdysteroids","Ergostane steroids"],"pathway_results":["Terpenoids"],"superclass_results":["Steroids"]}}