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CHEBI:227951 - Glycerol 1-hydroxy-2,5-dimethyl benzoate

ChEBI IDCHEBI:227951
ChEBI NameGlycerol 1-hydroxy-2,5-dimethyl benzoate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H16O5
Net Charge0
Average Mass240.255
Monoisotopic Mass240.09977
SMILESCc1ccc(C)c(C(=O)OC[C@@H](O)CO)c1O
InChIInChI=1S/C12H16O5/c1-7-3-4-8(2)11(15)10(7)12(16)17-6-9(14)5-13/h3-4,9,13-15H,5-6H2,1-2H3/t9-/m0/s1
InChIKeyWUPQQSPWBWLPND-VIFPVBQESA-N
Species of MetaboliteComponentSourceComments
Verrucosisporaspecies MS100047 (ncbitaxon:1410949) - PubMed (26975378)
ChEBI Ontology
Outgoing Relation(s)
Glycerol 1-hydroxy-2,5-dimethyl benzoate (CHEBI:227951) has functional parent salicylic acid (CHEBI:16914)
Glycerol 1-hydroxy-2,5-dimethyl benzoate (CHEBI:227951) is a benzoate ester (CHEBI:36054)
Glycerol 1-hydroxy-2,5-dimethyl benzoate (CHEBI:227951) is a phenols (CHEBI:33853)
IUPAC Name 
2,3-dihydroxypropyl 2-hydroxy-3,6-dimethylbenzoate
Manual XrefsDatabases
60596953ChemSpider