EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:168274 - 2-[2-(3,3-dimethyloxiran-2-yl)ethyl]-8-hydroxy-2-methyl-2H-chromene-5-carboxylic acid

ChEBI IDCHEBI:168274
ChEBI Name2-[2-(3,3-dimethyloxiran-2-yl)ethyl]-8-hydroxy-2-methyl-2H-chromene-5-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H20O5
Net Charge0
Average Mass304.342
Monoisotopic Mass304.13107
SMILESCC1(CCC2OC2(C)C)C=Cc2c(C(=O)O)ccc(O)c2O1
InChIInChI=1S/C17H20O5/c1-16(2)13(21-16)7-9-17(3)8-6-10-11(15(19)20)4-5-12(18)14(10)22-17/h4-6,8,13,18H,7,9H2,1-3H3,(H,19,20)
InChIKeyRZAMIZNWWHGEIY-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
2-[2-(3,3-dimethyloxiran-2-yl)ethyl]-8-hydroxy-2-methyl-2H-chromene-5-carboxylic acid (CHEBI:168274) is a hydroxybenzoic acid (CHEBI:24676)
IUPAC Name 
2-[2-(3,3-dimethyloxiran-2-yl)ethyl]-8-hydroxy-2-methylchromene-5-carboxylic acid
Manual XrefsDatabases
74853679ChemSpider
HMDB0134725HMDB