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CHEBI:209259 - Dothideopyrone E

ChEBI IDCHEBI:209259
ChEBI NameDothideopyrone E
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SubmitterMetaboLights
DownloadsMolfile
FormulaC16H26O6
Net Charge0
Average Mass314.378
Monoisotopic Mass314.17294
SMILESCOc1cc([C@@H](O)CCCCCC[C@@H](C)O)oc(=O)c1CO
InChIInChI=1S/C16H26O6/c1-11(18)7-5-3-4-6-8-13(19)15-9-14(21-2)12(10-17)16(20)22-15/h9,11,13,17-19H,3-8,10H2,1-2H3/t11-,13+/m1/s1
InChIKeyPBHUUYOELXANAU-YPMHNXCESA-N
ChEBI Ontology
Outgoing Relation(s)
Dothideopyrone E (CHEBI:209259) is a aliphatic alcohol (CHEBI:2571)
IUPAC Name 
6-[(1S,8R)-1,8-dihydroxynonyl]-3-(hydroxymethyl)-4-methoxypyran-2-one
Manual XrefsDatabases
78439883ChemSpider