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CHEBI:212050 - 3,4,5-trihydroxypentan-2-yl 2,4-dihydroxy-6-methylbenzoate

ChEBI IDCHEBI:212050
ChEBI Name3,4,5-trihydroxypentan-2-yl 2,4-dihydroxy-6-methylbenzoate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H18O7
Net Charge0
Average Mass286.280
Monoisotopic Mass286.10525
SMILESCc1cc(O)cc(O)c1C(=O)OC(C)C(O)C(O)CO
InChIInChI=1S/C13H18O7/c1-6-3-8(15)4-9(16)11(6)13(19)20-7(2)12(18)10(17)5-14/h3-4,7,10,12,14-18H,5H2,1-2H3
InChIKeyNGVFCDKVOUWTPW-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Chaetomium (ncbitaxon:5149) - DOI (10.1002/hlca.201300329)
ChEBI Ontology
Outgoing Relation(s)
3,4,5-trihydroxypentan-2-yl 2,4-dihydroxy-6-methylbenzoate (CHEBI:212050) is a 4-hydroxybenzoate ester (CHEBI:79323)
IUPAC Name 
3,4,5-trihydroxypentan-2-yl 2,4-dihydroxy-6-methylbenzoate
Manual XrefsDatabases
78444681ChemSpider