Altenusinoide B (CHEBI:216093)

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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	Altenusinoide B

ChEBI ID	CHEBI:216093

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C16H13NO5S

Net Charge

Average Mass

331.340

Monoisotopic Mass

331.05144

InChI

InChI=1S/C16H13NO5S/c1-7-9(5-12(19)14-15(7)23-6-17-14)10-3-8(22-2)4-11(18)13(10)16(20)21/h3-6,18-19H,1-2H3,(H,20,21)

InChIKey

DVFJBSZJKLTBAR-UHFFFAOYSA-N

SMILES

S1C2=C(C(C3=C(C(O)=CC(=C3)OC)C(=O)O)=CC(=C2N=C1)O)C

Metabolite of Species	Details
Alternaria (NCBI:txid5598)	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	Altenusinoide B (CHEBI:216093) is a methoxybenzoic acid (CHEBI:25238)

IUPAC Name

2-hydroxy-6-(4-hydroxy-7-methyl-1,3-benzothiazol-6-yl)-4-methoxybenzoic acid