CHEBI:206402 - Penicillisocoumarin A

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ChEBI Name Penicillisocoumarin A
ChEBI ID CHEBI:206402
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C14H16O5
Net Charge 0
Average Mass 264.277
Monoisotopic Mass 264.09977
InChI InChI=1S/C14H16O5/c1-8(15)3-2-4-9-7-10-11(16)5-6-12(17)13(10)14(18)19-9/h5-6,9,16-17H,2-4,7H2,1H3/t9-/m0/s1
InChIKey LWHJBOUADCHVAV-VIFPVBQESA-N
SMILES O=C1O[C@H](CC=2C1=C(O)C=CC2O)CCCC(=O)C
Metabolite of Species Details
Penicillium (NCBI:txid5073) See: PubMed
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Penicillisocoumarin A (CHEBI:206402) is a hydroxybenzoic acid (CHEBI:24676)
IUPAC Name
(3S)-5,8-dihydroxy-3-(4-oxopentyl)-3,4-dihydroisochromen-1-one
Manual Xref Database
63002608 ChemSpider
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