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CHEBI:214170 - Neovasipyrone A

ChEBI IDCHEBI:214170
ChEBI NameNeovasipyrone A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC17H26O6
Net Charge0
Average Mass326.389
Monoisotopic Mass326.17294
SMILESCC[C@H](C)[C@@H](O)/C(C)=C/C(C)(O)c1oc(=O)c(C)c(O)c1CO
InChIInChI=1S/C17H26O6/c1-6-9(2)13(19)10(3)7-17(5,22)15-12(8-18)14(20)11(4)16(21)23-15/h7,9,13,18-20,22H,6,8H2,1-5H3/b10-7+/t9-,13+,17?/m0/s1
InChIKeyHVGOTNBMFWSXLX-QEVDWSPBSA-N
Species of MetaboliteComponentSourceComments
Fusarium neocosmosporiellum (ncbitaxon:1325723) - DOI (10.1016/0031-9422(95)00356-c)
ChEBI Ontology
Outgoing Relation(s)
Neovasipyrone A (CHEBI:214170) is a pyranone (CHEBI:37963)
IUPAC Name 
6-[(E,5R,6S)-2,5-dihydroxy-4,6-dimethyloct-3-en-2-yl]-4-hydroxy-5-(hydroxymethyl)-3-methylpyran-2-one
Manual XrefsDatabases
78437508ChemSpider