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CHEBI:205804 - 6-(2′S-hydroxy-1′-heptyl)-4 -hydroxy-3-methyl-2H-pyran-2-one

ChEBI IDCHEBI:205804
ChEBI Name6-(2′S-hydroxy-1′-heptyl)-4 -hydroxy-3-methyl-2H-pyran-2-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H20O4
Net Charge0
Average Mass240.299
Monoisotopic Mass240.13616
SMILESCCCCC[C@H](O)Cc1cc(O)c(C)c(=O)o1
InChIInChI=1S/C13H20O4/c1-3-4-5-6-10(14)7-11-8-12(15)9(2)13(16)17-11/h8,10,14-15H,3-7H2,1-2H3/t10-/m0/s1
InChIKeyGOWBICSYEMLKIU-JTQLQIEISA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (30129376)
ChEBI Ontology
Outgoing Relation(s)
6-(2′S-hydroxy-1′-heptyl)-4 -hydroxy-3-methyl-2H-pyran-2-one (CHEBI:205804) is a aliphatic alcohol (CHEBI:2571)
IUPAC Name 
4-hydroxy-6-[(2S)-2-hydroxyheptyl]-3-methylpyran-2-one