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CHEBI:227219 - Pseudohygrophorone A(12)

ChEBI IDCHEBI:227219
ChEBI NamePseudohygrophorone A(12)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H32O4
Net Charge0
Average Mass312.450
Monoisotopic Mass312.23006
SMILESCCCCCCCCCCCC[C@@]1(O)[C@H](O)C(=O)C=C[C@@H]1O
InChIInChI=1S/C18H32O4/c1-2-3-4-5-6-7-8-9-10-11-14-18(22)16(20)13-12-15(19)17(18)21/h12-13,16-17,20-22H,2-11,14H2,1H3/t16-,17+,18-/m0/s1
InChIKeyLGOYOMBWODTOJH-KSZLIROESA-N
Species of MetaboliteComponentSourceComments
Hygrophorus abieticola (ncbitaxon:2202771) - PubMed (26722697)
ChEBI Ontology
Outgoing Relation(s)
Pseudohygrophorone A(12) (CHEBI:227219) is a cyclohexenones (CHEBI:48953)
IUPAC Name 
(4S,5S,6S)-5-dodecyl-4,5,6-trihydroxycyclohex-2-en-1-one
Manual XrefsDatabases
78438868ChemSpider