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CHEBI:169265 - 3,4,5-trihydroxy-6-{[8-hydroxy-6-(3-methylbut-2-en-1-yl)-2-oxo-2H-chromen-7-yl]oxy}oxane-2-carboxylic acid

ChEBI IDCHEBI:169265
ChEBI Name3,4,5-trihydroxy-6-{[8-hydroxy-6-(3-methylbut-2-en-1-yl)-2-oxo-2H-chromen-7-yl]oxy}oxane-2-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H22O10
Net Charge0
Average Mass422.386
Monoisotopic Mass422.12130
SMILESCC(C)=CCc1cc2ccc(=O)oc2c(O)c1OC1OC(C(=O)O)C(O)C(O)C1O
InChIInChI=1S/C20H22O10/c1-8(2)3-4-9-7-10-5-6-11(21)28-16(10)15(25)17(9)29-20-14(24)12(22)13(23)18(30-20)19(26)27/h3,5-7,12-14,18,20,22-25H,4H2,1-2H3,(H,26,27)
InChIKeyRLFFFEVVIQXLAH-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
3,4,5-trihydroxy-6-{[8-hydroxy-6-(3-methylbut-2-en-1-yl)-2-oxo-2H-chromen-7-yl]oxy}oxane-2-carboxylic acid (CHEBI:169265) is a coumarins (CHEBI:23403)
3,4,5-trihydroxy-6-{[8-hydroxy-6-(3-methylbut-2-en-1-yl)-2-oxo-2H-chromen-7-yl]oxy}oxane-2-carboxylic acid (CHEBI:169265) is a glycoside (CHEBI:24400)
IUPAC Name 
3,4,5-trihydroxy-6-[8-hydroxy-6-(3-methylbut-2-enyl)-2-oxochromen-7-yl]oxyoxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0128655HMDB