CHEBI:201059 - Pestalotiopsone E

ChEBI IDCHEBI:201059
ChEBI NamePestalotiopsone E
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SubmitterMetaboLights
DownloadsMolfile
FormulaC20H26O6
Net Charge0
Average Mass362.422
Monoisotopic Mass362.17294
SMILESCCOC(=O)Cc1cc(O)cc2oc(CCCCC[C@H](C)O)cc(=O)c12
InChIInChI=1S/C20H26O6/c1-3-25-19(24)10-14-9-15(22)11-18-20(14)17(23)12-16(26-18)8-6-4-5-7-13(2)21/h9,11-13,21-22H,3-8,10H2,1-2H3/t13-/m0/s1
InChIKeyNRXGHYGIYHFZNK-ZDUSSCGKSA-N
Species of MetaboliteComponentSourceComments
Pestalotiopsisspecies (ncbitaxon:36460) - PubMed (19271764)
ChEBI Ontology
Outgoing Relation(s)
Pestalotiopsone E (CHEBI:201059) is a chromones (CHEBI:23238)
IUPAC Name 
ethyl 2-[7-hydroxy-2-(6-hydroxyheptyl)-4-oxochromen-5-yl]acetate
Manual XrefsDatabases
24620603ChemSpider