Chaetosemin G (CHEBI:226800)

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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	Chaetosemin G

ChEBI ID	CHEBI:226800

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C11H11ClO4

Net Charge

Average Mass

242.660

Monoisotopic Mass

242.03459

InChI

InChI=1S/C11H11ClO4/c1-4-3-6-7(11(15)16-4)9(13)5(2)10(14)8(6)12/h4,13-14H,3H2,1-2H3/t4-/m0/s1

InChIKey

SWPQOYCPQGXBPF-BYPYZUCNSA-N

SMILES

ClC1=C(O)C(=C(O)C2=C1C[C@H](C)OC2=O)C

Metabolite of Species	Details
Chaetomiumspecies (NCBI:txid1769349)	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	Chaetosemin G (CHEBI:226800) is a hydroxybenzoic acid (CHEBI:24676)

IUPAC Name

(3S)-5-chloro-6,8-dihydroxy-3,7-dimethyl-3,4-dihydroisochromen-1-one