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CHEBI:213570 - 3-hydroxy-4-((2R,6R)-6-(hydroxymethyl)-2,6-dimethyltetrahydro-2H-pyran-2-yl)benzoic acid

ChEBI IDCHEBI:213570
ChEBI Name3-hydroxy-4-((2R,6R)-6-(hydroxymethyl)-2,6-dimethyltetrahydro-2H-pyran-2-yl)benzoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H20O5
Net Charge0
Average Mass280.320
Monoisotopic Mass280.13107
SMILESC[C@]1(CO)CCC[C@](C)(c2ccc(C(=O)O)cc2O)O1
InChIInChI=1S/C15H20O5/c1-14(9-16)6-3-7-15(2,20-14)11-5-4-10(13(18)19)8-12(11)17/h4-5,8,16-17H,3,6-7,9H2,1-2H3,(H,18,19)/t14-,15-/m1/s1
InChIKeyFGDIZZDZNVDSJE-HUUCEWRRSA-N
Species of MetaboliteComponentSourceComments
Aspergillusspecies SCSIO 06786 (ncbitaxon:2597711) - PubMed (31698061)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
3-hydroxy-4-((2R,6R)-6-(hydroxymethyl)-2,6-dimethyltetrahydro-2H-pyran-2-yl)benzoic acid (CHEBI:213570) is a hydroxybenzoic acid (CHEBI:24676)
IUPAC Name 
3-hydroxy-4-[(2R,6R)-6-(hydroxymethyl)-2,6-dimethyloxan-2-yl]benzoic acid
Manual XrefsDatabases
81363718ChemSpider