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CHEBI:227773 - 4-hydroxy-3,5-dimethoxy benzoic acid 2-hydroxy-1-(hydroxymethyl)ethyl ester

ChEBI IDCHEBI:227773
ChEBI Name4-hydroxy-3,5-dimethoxy benzoic acid 2-hydroxy-1-(hydroxymethyl)ethyl ester
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H16O7
Net Charge0
Average Mass272.253
Monoisotopic Mass272.08960
SMILESCOc1cc(C(=O)OC(CO)CO)cc(OC)c1O
InChIInChI=1S/C12H16O7/c1-17-9-3-7(4-10(18-2)11(9)15)12(16)19-8(5-13)6-14/h3-4,8,13-15H,5-6H2,1-2H3
InChIKeyXNWSHCWMPQATIY-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Inonotus (ncbitaxon:40468) - PubMed (17666849)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
4-hydroxy-3,5-dimethoxy benzoic acid 2-hydroxy-1-(hydroxymethyl)ethyl ester (CHEBI:227773) is a trihydroxybenzoic acid (CHEBI:27115)
IUPAC Name 
1,3-dihydroxypropan-2-yl 4-hydroxy-3,5-dimethoxybenzoate
Manual XrefsDatabases
28284337ChemSpider