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CHEBI:169138 - 6-[2-(carboxymethyl)-3,5-dihydroxy-4-(3-methylbut-2-en-1-yl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

Default Structure
ChEBI IDCHEBI:169138
ChEBI Name6-[2-(carboxymethyl)-3,5-dihydroxy-4-(3-methylbut-2-en-1-yl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H24O11
Net Charge0
Average Mass428.390
Monoisotopic Mass428.13186
SMILESCC(C)=CCc1c(O)cc(OC2OC(C(=O)O)C(O)C(O)C2O)c(CC(=O)O)c1O
InChIInChI=1S/C19H24O11/c1-7(2)3-4-8-10(20)6-11(9(13(8)23)5-12(21)22)29-19-16(26)14(24)15(25)17(30-19)18(27)28/h3,6,14-17,19-20,23-26H,4-5H2,1-2H3,(H,21,22)(H,27,28)
InChIKeyANFVHKJDDNCHKU-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-(carboxymethyl)-3,5-dihydroxy-4-(3-methylbut-2-en-1-yl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:169138) is a glycoside (CHEBI:24400)
IUPAC Name 
6-[2-(carboxymethyl)-3,5-dihydroxy-4-(3-methylbut-2-enyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0125492HMDB