Spiromastilactone A (CHEBI:228011)

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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	Spiromastilactone A

ChEBI ID	CHEBI:228011

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C10H8Cl2O4

Net Charge

Average Mass

263.070

Monoisotopic Mass

261.97996

InChI

InChI=1S/C10H8Cl2O4/c1-2-3-4-5(10(15)16-3)8(13)7(12)9(14)6(4)11/h3,13-14H,2H2,1H3/t3-/m1/s1

InChIKey

QLBDBPMUFILYQL-GSVOUGTGSA-N

SMILES

ClC1=C(O)C(Cl)=C2[C@@H](CC)OC(C2=C1O)=O

Metabolite of Species	Details
Spiromastixspecies (NCBI:txid2044277)	See: PubMed

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	Spiromastilactone A (CHEBI:228011) is a hydroxybenzoic acid (CHEBI:24676)

IUPAC Name

(3R)-4,6-dichloro-3-ethyl-5,7-dihydroxy-3H-2-benzouran-1-one