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CHEBI:227224 - Pseudohygrophorone B(12)

ChEBI IDCHEBI:227224
ChEBI NamePseudohygrophorone B(12)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H32O4
Net Charge0
Average Mass312.450
Monoisotopic Mass312.23006
SMILESCCCCCCCCCCCC[C@]1(O)[C@@H](O)C=CC(=O)[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-BZSNNMDCSA-N
Species of MetaboliteComponentSourceComments
Hygrophorus abieticola (ncbitaxon:2202771) - PubMed (26722697)
ChEBI Ontology
Outgoing Relation(s)
Pseudohygrophorone B(12) (CHEBI:227224) is a cyclohexenones (CHEBI:48953)
IUPAC Name 
(4S,5S,6R)-5-dodecyl-4,5,6-trihydroxycyclohex-2-en-1-one
Manual XrefsDatabases
78438869ChemSpider