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CHEBI:206407 - Penicillisocoumarin B

ChEBI IDCHEBI:206407
ChEBI NamePenicillisocoumarin B
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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+/m0/s1
InChIKeyMHNSAYQVUAOBDT-DTWKUNHWSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (28698959)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Penicillisocoumarin B (CHEBI:206407) is a hydroxybenzoic acid (CHEBI:24676)
IUPAC Name 
(3R)-5,8-dihydroxy-3-[(4S)-4-hydroxypentyl]-3,4-dihydroisochromen-1-one
Manual XrefsDatabases
63002609ChemSpider