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CHEBI:169145 - 6-[2,6-dihydroxy-3-(3-methylbut-2-en-1-yl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

ChEBI IDCHEBI:169145
ChEBI Name6-[2,6-dihydroxy-3-(3-methylbut-2-en-1-yl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H22O9
Net Charge0
Average Mass370.354
Monoisotopic Mass370.12638
SMILESCC(C)=CCc1ccc(O)c(OC2OC(C(=O)O)C(O)C(O)C2O)c1O
InChIInChI=1S/C17H22O9/c1-7(2)3-4-8-5-6-9(18)14(10(8)19)25-17-13(22)11(20)12(21)15(26-17)16(23)24/h3,5-6,11-13,15,17-22H,4H2,1-2H3,(H,23,24)
InChIKeyPNQYHJBGSPEPCO-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)
6-[2,6-dihydroxy-3-(3-methylbut-2-en-1-yl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:169145) is a glycoside (CHEBI:24400)
IUPAC Name 
6-[2,6-dihydroxy-3-(3-methylbut-2-enyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0133256HMDB