CHEBI:232429 - 4,6-dihydroxy-2-(hydroxymethyl)-3,5-dimethylbenzoate(1−)

ChEBI IDCHEBI:232429
ChEBI Name4,6-dihydroxy-2-(hydroxymethyl)-3,5-dimethylbenzoate(1−)
Stars
ASCII Name4,6-dihydroxy-2-(hydroxymethyl)-3,5-dimethylbenzoate(1-)
DefinitionMajor microspecies at pH 7.3.
SubmitterAnne Morgat
DownloadsMolfile
FormulaC10H11O5
Net Charge-1
Average Mass211.193
Monoisotopic Mass211.06120
SMILESCc1c(O)c(C)c(CO)c(C(=O)[O-])c1O
InChIInChI=1S/C10H12O5/c1-4-6(3-11)7(10(14)15)9(13)5(2)8(4)12/h11-13H,3H2,1-2H3,(H,14,15)/p-1
InChIKeyWDDYGGTZWBBVIB-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
4,6-dihydroxy-2-(hydroxymethyl)-3,5-dimethylbenzoate(1−) (CHEBI:232429) is a dihydroxybenzoate (CHEBI:36084)
UniProt Name  Source
4,6-dihydroxy-2-(hydroxymethyl)-3,5-dimethylbenzoateUniProt
Manual XrefsDatabases
CPD-17318MetaCyc
Citations