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CHEBI:197714 - Neovasipyrone B

ChEBI IDCHEBI:197714
ChEBI NameNeovasipyrone B
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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-VIOPJZGUSA-N
Species of MetaboliteComponentSourceComments
Fusarium neocosmosporiellum (ncbitaxon:1325723) - DOI (10.1016/0031-9422(95)00356-c)
ChEBI Ontology
Outgoing Relation(s)
Neovasipyrone B (CHEBI:197714) is a pyranone (CHEBI:37963)
IUPAC Name 
6-[(E,5S,6S)-2,5-dihydroxy-4,6-dimethyloct-3-en-2-yl]-4-hydroxy-5-(hydroxymethyl)-3-methylpyran-2-one
Manual XrefsDatabases
78436260ChemSpider