{"id":20065,"npaid":"NPA020065","original_name":"Pestalpolyol E","mol_formula":"C22H38O4","mol_weight":"366.5420","exact_mass":"366.2770","inchikey":"DNIXQXLXMAQDFP-KDFYTODRSA-N","smiles":"CCC(=O)[C@H](C)[C@@H](/C(=C/[C@H](C)[C@@H](/C(=C/[C@H](C)[C@@H](/C(=C/C)/C)O)/C)O)/C)O","cluster_id":3404,"node_id":643,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C22H38O4/c1-9-13(3)20(24)14(4)11-15(5)21(25)16(6)12-17(7)22(26)18(8)19(23)10-2/h9,11-12,14,16,18,20-22,24-26H,10H2,1-8H3/b13-9+,15-11+,17-12+/t14-,16-,18-,20+,21+,22+/m0/s1","m_plus_h":"367.2843","m_plus_na":"389.2662","origin_reference":{"doi":"10.1055/s-0035-1546257","pmid":26227504,"authors":"Li, Jing; Xie, Jin; Yang, Yin-He; Li, Xiao-Lian; Zeng, Ying; Zhao, Pei-Ji","title":"Pestalpolyols A-D, Cytotoxic Polyketides from Pestalotiopsis spcr013","journal":"Planta Medica","year":2015,"volume":"81","issue":"14","pages":"1285-1289"},"origin_organism":{"id":5617,"type":"Fungus","genus":"Pestalotiopsis","species":"sp. 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These are diterpenoids (compounds made of four consecutive isoprene units) that do not contain a cycle.","substituents":["Acyclic diterpenoid","Long chain fatty alcohol","Fatty alcohol","Fatty acyl","Beta-hydroxy ketone","Secondary alcohol","Ketone","Polyol","Organic oxygen compound","Organic oxide","Hydrocarbon derivative","Organooxygen compound","Carbonyl group","Alcohol","Aliphatic acyclic compound"],"direct_parent":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001357","name":"Acyclic diterpenoids","chemont_id":"CHEMONTID:0001357","description":"Diterpenoids (compounds made of four consecutive isoprene units) that do not contain a cycle."},"intermediate_nodes":[],"alternative_parents":[{"url":"http://classyfire.wishartlab.com/tax_nodes/C0002951","name":"Long-chain fatty alcohols","chemont_id":"CHEMONTID:0002951","description":"Fatty alcohols that have an aliphatic tail of 13 to 21 carbon atoms."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0002913","name":"Beta-hydroxy ketones","chemont_id":"CHEMONTID:0002913","description":"Ketones containing a hydroxyl group attached to the beta-carbon atom, relative to the C=O group."},{"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/C0002286","name":"Polyols","chemont_id":"CHEMONTID:0002286","description":"Organic compounds containing more than one hydroxyl groups."},{"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. 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