EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:223651 - Peniciisocoumarin B

ChEBI IDCHEBI:223651
ChEBI NamePeniciisocoumarin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H20O5
Net Charge0
Average Mass268.309
Monoisotopic Mass268.13107
SMILESCC(=O)CCC[C@@H]1C[C@@H]2C[C@@H](O)CC(O)=C2C(=O)O1
InChIInChI=1S/C14H20O5/c1-8(15)3-2-4-11-6-9-5-10(16)7-12(17)13(9)14(18)19-11/h9-11,16-17H,2-7H2,1H3/t9-,10+,11+/m0/s1
InChIKeyZVZLNUBJFZVVLC-HBNTYKKESA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (30990038)
ChEBI Ontology
Outgoing Relation(s)
Peniciisocoumarin B (CHEBI:223651) is a benzopyran (CHEBI:22727)
IUPAC Name 
(3R,4aS,6R)-6,8-dihydroxy-3-(4-oxopentyl)-3,4,4a,5,6,7-hexahydroisochromen-1-one
Manual XrefsDatabases
74832016ChemSpider