Phomolactone A (CHEBI:225632)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	Phomolactone A

ChEBI ID	CHEBI:225632

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C12H13ClO4

Net Charge

Average Mass

256.680

Monoisotopic Mass

256.05024

InChI

InChI=1S/C12H13ClO4/c1-2-3-6-4-7-10(12(16)17-6)9(14)5-8(13)11(7)15/h5-6,14-15H,2-4H2,1H3/t6-/m1/s1

InChIKey

SEIIWAQCIOACJZ-ZCFIWIBFSA-N

SMILES

ClC1=C(O)C2=C(C(=O)O[C@@H](C2)CCC)C(=C1)O

Metabolite of Species	Details
Phomopsis (NCBI:txid34399)	See: DOI

Roles Classification
Chemical Role(s):	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

ChEBI Ontology
Outgoing	Phomolactone A (CHEBI:225632) is a hydroxybenzoic acid (CHEBI:24676)

IUPAC Name

(3R)-6-chloro-5,8-dihydroxy-3-propyl-3,4-dihydroisochromen-1-one