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CHEBI:169421 - 3,4,5-trihydroxy-6-[4-(3-hydroxybutyl)-2-methoxyphenoxy]oxane-2-carboxylic acid

ChEBI IDCHEBI:169421
ChEBI Name3,4,5-trihydroxy-6-[4-(3-hydroxybutyl)-2-methoxyphenoxy]oxane-2-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H24O9
Net Charge0
Average Mass372.370
Monoisotopic Mass372.14203
SMILESCOc1cc(CCC(C)O)ccc1OC1OC(C(=O)O)C(O)C(O)C1O
InChIInChI=1S/C17H24O9/c1-8(18)3-4-9-5-6-10(11(7-9)24-2)25-17-14(21)12(19)13(20)15(26-17)16(22)23/h5-8,12-15,17-21H,3-4H2,1-2H3,(H,22,23)
InChIKeySVWGGKFYCHDERQ-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-[4-(3-hydroxybutyl)-2-methoxyphenoxy]oxane-2-carboxylic acid (CHEBI:169421) is a glycoside (CHEBI:24400)
IUPAC Name 
3,4,5-trihydroxy-6-[4-(3-hydroxybutyl)-2-methoxyphenoxy]oxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0135716HMDB