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CHEBI:222078 - 6-((2S,4R)-2,4-dihydroxyundec-1-yl)-4-hydroxy-3-methyl-2H-pyran-2-one

ChEBI IDCHEBI:222078
ChEBI Name6-((2S,4R)-2,4-dihydroxyundec-1-yl)-4-hydroxy-3-methyl-2H-pyran-2-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H28O5
Net Charge0
Average Mass312.406
Monoisotopic Mass312.19367
SMILESCCCCCCC[C@@H](O)C[C@H](O)Cc1cc(O)c(C)c(=O)o1
InChIInChI=1S/C17H28O5/c1-3-4-5-6-7-8-13(18)9-14(19)10-15-11-16(20)12(2)17(21)22-15/h11,13-14,18-20H,3-10H2,1-2H3/t13-,14+/m1/s1
InChIKeyJGWPHSGDXRADJG-KGLIPLIRSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (24456578)
ChEBI Ontology
Outgoing Relation(s)
6-((2S,4R)-2,4-dihydroxyundec-1-yl)-4-hydroxy-3-methyl-2H-pyran-2-one (CHEBI:222078) is a aliphatic alcohol (CHEBI:2571)
IUPAC Name 
6-[(2S,4R)-2,4-dihydroxyundecyl]-4-hydroxy-3-methylpyran-2-one
Manual XrefsDatabases
31129556ChemSpider