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CHEBI:213837 - Penisclerotiorin A

ChEBI IDCHEBI:213837
ChEBI NamePenisclerotiorin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H24O6
Net Charge0
Average Mass336.384
Monoisotopic Mass336.15729
SMILESCOC1=C(C)C(=O)[C@@H](O)[C@](C)(OC)[C@H]1Oc1cc(C)cc(O)c1C
InChIInChI=1S/C18H24O6/c1-9-7-12(19)10(2)13(8-9)24-17-15(22-5)11(3)14(20)16(21)18(17,4)23-6/h7-8,16-17,19,21H,1-6H3/t16-,17+,18+/m1/s1
InChIKeyWWPCIXDRLFHBPT-SQNIBIBYSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (32199959)
ChEBI Ontology
Outgoing Relation(s)
Penisclerotiorin A (CHEBI:213837) is a phenols (CHEBI:33853)
Penisclerotiorin A (CHEBI:213837) is a xylene (CHEBI:27338)
IUPAC Name 
(4S,5S,6S)-6-hydroxy-4-(3-hydroxy-2,5-dimethylphenoxy)-3,5-dimethoxy-2,5-dimethylcyclohex-2-en-1-one
Manual XrefsDatabases
97510532ChemSpider