Subpsoromic acid (CHEBI:216829)

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

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	Subpsoromic acid

ChEBI ID	CHEBI:216829

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C17H12O8

Net Charge

Average Mass

344.275

Monoisotopic Mass

344.05322

InChI

InChI=1S/C17H12O8/c1-7-3-11(19)10(6-18)15-13(7)17(22)24-12-5-8(23-2)4-9(16(20)21)14(12)25-15/h3-6,19H,1-2H3,(H,20,21)

InChIKey

SYHVWKKTKCTSSQ-UHFFFAOYSA-N

SMILES

O=C1OC2=C(C(C(=O)O)=CC(=C2)OC)OC3=C1C(=CC(=C3C=O)O)C

Metabolite of Species	Details
Ocellularia praestans (NCBI:txid1232515)	See: DOI

ChEBI Ontology
Outgoing	Subpsoromic acid (CHEBI:216829) is a carbonyl compound (CHEBI:36586)

IUPAC Name

10-ormyl-9-hydroxy-3-methoxy-7-methyl-6-oxobenzo[b][1,4]benzodioxepine-1-carboxylic acid