7,8-Dihydroxy-3,7-dimethyl-6-oxo-7,8-dihydro-6H-isochromene-5-carbaldehyde (CHEBI:184597)

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	7,8-Dihydroxy-3,7-dimethyl-6-oxo-7,8-dihydro-6H-isochromene-5-carbaldehyde

ChEBI ID	CHEBI:184597

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C12H12O5

Net Charge

Average Mass

236.223

Monoisotopic Mass

236.06847

InChI

InChI=1S/C12H12O5/c1-6-3-7-8(4-13)10(14)12(2,16)11(15)9(7)5-17-6/h3-5,11,15-16H,1-2H3

InChIKey

QVMUHZHZYCDMAI-UHFFFAOYSA-N

SMILES

OC1(C(O)C=2C(=C(C1=O)C=O)C=C(OC2)C)C

Metabolite of Species	Details
Bos taurus (NCBI:txid9913)	Found in spermatozoon (BTO:0001277). of strain Holstein [LBO:0000132] See: MetaboLights Study

Roles Classification
Biological Role(s):	fungal metabolite Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds. (via azaphilone )

ChEBI Ontology
Outgoing	7,8-Dihydroxy-3,7-dimethyl-6-oxo-7,8-dihydro-6H-isochromene-5-carbaldehyde (CHEBI:184597) is a azaphilone (CHEBI:50941)

IUPAC Name

7,8-dihydroxy-3,7-dimethyl-6-oxo-8H-isochromene-5-carbaldehyde