EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:223666 - Peniciisocoumarin F

ChEBI IDCHEBI:223666
ChEBI NamePeniciisocoumarin F
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H18O5
Net Charge0
Average Mass266.293
Monoisotopic Mass266.11542
SMILESC[C@@H](O)CCC[C@@H]1Cc2c(O)ccc(O)c2C(=O)O1
InChIInChI=1S/C14H18O5/c1-8(15)3-2-4-9-7-10-11(16)5-6-12(17)13(10)14(18)19-9/h5-6,8-9,15-17H,2-4,7H2,1H3/t8-,9-/m1/s1
InChIKeyMHNSAYQVUAOBDT-RKDXNWHRSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (30990038)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Peniciisocoumarin F (CHEBI:223666) is a hydroxybenzoic acid (CHEBI:24676)
IUPAC Name 
(3R)-5,8-dihydroxy-3-[(4R)-4-hydroxypentyl]-3,4-dihydroisochromen-1-one
Manual XrefsDatabases
74832020ChemSpider