2,4,6-Trihydroxy-3-methyl-5-(3-methylbutanoyl)benzaldehyde (CHEBI:182757)

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	2,4,6-Trihydroxy-3-methyl-5-(3-methylbutanoyl)benzaldehyde

ChEBI ID	CHEBI:182757

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C13H16O5

Net Charge

Average Mass

252.266

Monoisotopic Mass

252.09977

InChI

InChI=1S/C13H16O5/c1-6(2)4-9(15)10-12(17)7(3)11(16)8(5-14)13(10)18/h5-6,16-18H,4H2,1-3H3

InChIKey

NGJANBBWZSMYRM-UHFFFAOYSA-N

SMILES

O=C(CC(C)C)C1=C(O)C(=C(O)C(=C1O)C=O)C

ChEBI Ontology
Outgoing	2,4,6-Trihydroxy-3-methyl-5-(3-methylbutanoyl)benzaldehyde (CHEBI:182757) is a aromatic ketone (CHEBI:76224)

IUPAC Name

2,4,6-trihydroxy-3-methyl-5-(3-methylbutanoyl)benzaldehyde