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CHEBI:168517 - 3,4,5-trihydroxy-6-{[4-hydroxy-5-(3-hydroxyphenyl)pentanoyl]oxy}oxane-2-carboxylic acid

ChEBI IDCHEBI:168517
ChEBI Name3,4,5-trihydroxy-6-{[4-hydroxy-5-(3-hydroxyphenyl)pentanoyl]oxy}oxane-2-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H22O10
Net Charge0
Average Mass386.353
Monoisotopic Mass386.12130
SMILESO=C(CCC(O)Cc1cccc(O)c1)OC1OC(C(=O)O)C(O)C(O)C1O
InChIInChI=1S/C17H22O10/c18-9-3-1-2-8(6-9)7-10(19)4-5-11(20)26-17-14(23)12(21)13(22)15(27-17)16(24)25/h1-3,6,10,12-15,17-19,21-23H,4-5,7H2,(H,24,25)
InChIKeyBQYQRXWRWWLRKL-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-hydroxy-5-(3-hydroxyphenyl)pentanoyl]oxy}oxane-2-carboxylic acid (CHEBI:168517) is a glucosiduronic acid (CHEBI:24302)
IUPAC Name 
3,4,5-trihydroxy-6-[4-hydroxy-5-(3-hydroxyphenyl)pentanoyl]oxyoxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0127755HMDB