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CHEBI:168677 - 3,4,5-trihydroxy-6-[3-hydroxy-2-(3-methylbut-2-en-1-yl)phenoxy]oxane-2-carboxylic acid

ChEBI IDCHEBI:168677
ChEBI Name3,4,5-trihydroxy-6-[3-hydroxy-2-(3-methylbut-2-en-1-yl)phenoxy]oxane-2-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H22O8
Net Charge0
Average Mass354.355
Monoisotopic Mass354.13147
SMILESCC(C)=CCc1c(O)cccc1OC1OC(C(=O)O)C(O)C(O)C1O
InChIInChI=1S/C17H22O8/c1-8(2)6-7-9-10(18)4-3-5-11(9)24-17-14(21)12(19)13(20)15(25-17)16(22)23/h3-6,12-15,17-21H,7H2,1-2H3,(H,22,23)
InChIKeyQUBLFXTYQLVUFU-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-[3-hydroxy-2-(3-methylbut-2-en-1-yl)phenoxy]oxane-2-carboxylic acid (CHEBI:168677) is a glycoside (CHEBI:24400)
IUPAC Name 
3,4,5-trihydroxy-6-[3-hydroxy-2-(3-methylbut-2-enyl)phenoxy]oxane-2-carboxylic acid
Manual XrefsDatabases
74886551ChemSpider
HMDB0126175HMDB