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CHEBI:198390 - Nodulisporipyrone B

ChEBI IDCHEBI:198390
ChEBI NameNodulisporipyrone B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC13H20O5
Net Charge0
Average Mass256.298
Monoisotopic Mass256.13107
SMILESCCCCC[C@@H](O)[C@@H](O)c1cc(OC)cc(=O)o1
InChIInChI=1S/C13H20O5/c1-3-4-5-6-10(14)13(16)11-7-9(17-2)8-12(15)18-11/h7-8,10,13-14,16H,3-6H2,1-2H3/t10-,13-/m1/s1
InChIKeyJSXSFKUJRDZOID-ZWNOBZJWSA-N
Species of MetaboliteComponentSourceComments
Nodulisporiumspecies 65-12-7-1 (ncbitaxon:1380445) - PubMed (25981163)
ChEBI Ontology
Outgoing Relation(s)
Nodulisporipyrone B (CHEBI:198390) is a aliphatic alcohol (CHEBI:2571)
IUPAC Name 
6-[(1R,2R)-1,2-dihydroxyheptyl]-4-methoxypyran-2-one
Manual XrefsDatabases
78436352ChemSpider