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CHEBI:169775 - 8-hydroxy-5-methyl-5-(4-methylpent-3-en-1-yl)-3,6-dioxatricyclo[5.4.0.0?,?]undeca-1(11),7,9-triene-11-carboxylic acid

ChEBI IDCHEBI:169775
ChEBI Name8-hydroxy-5-methyl-5-(4-methylpent-3-en-1-yl)-3,6-dioxatricyclo[5.4.0.0?,?]undeca-1(11),7,9-triene-11-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H20O5
Net Charge0
Average Mass304.342
Monoisotopic Mass304.13107
SMILESCC(C)=CCCC1(C)Oc2c(O)ccc(C(=O)O)c2C2OC21
InChIInChI=1S/C17H20O5/c1-9(2)5-4-8-17(3)15-14(21-15)12-10(16(19)20)6-7-11(18)13(12)22-17/h5-7,14-15,18H,4,8H2,1-3H3,(H,19,20)
InChIKeyXWGKBCTZUGDVCV-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)
8-hydroxy-5-methyl-5-(4-methylpent-3-en-1-yl)-3,6-dioxatricyclo[5.4.0.0?,?]undeca-1(11),7,9-triene-11-carboxylic acid (CHEBI:169775) is a hydroxybenzoic acid (CHEBI:24676)
IUPAC Name 
4-hydroxy-2-methyl-2-(4-methylpent-3-enyl)-1a,7b-dihydrooxireno[2,3-c]chromene-7-carboxylic acid
Manual XrefsDatabases
HMDB0134727HMDB