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CHEBI:168992 - 3,4,5-trihydroxy-6-{[1-(4-methoxyphenyl)pentan-3-yl]oxy}oxane-2-carboxylic acid

ChEBI IDCHEBI:168992
ChEBI Name3,4,5-trihydroxy-6-{[1-(4-methoxyphenyl)pentan-3-yl]oxy}oxane-2-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H26O8
Net Charge0
Average Mass370.398
Monoisotopic Mass370.16277
SMILESCCC(CCc1ccc(OC)cc1)OC1OC(C(=O)O)C(O)C(O)C1O
InChIInChI=1S/C18H26O8/c1-3-11(7-4-10-5-8-12(24-2)9-6-10)25-18-15(21)13(19)14(20)16(26-18)17(22)23/h5-6,8-9,11,13-16,18-21H,3-4,7H2,1-2H3,(H,22,23)
InChIKeyXOTHYEAJKUESRZ-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-{[1-(4-methoxyphenyl)pentan-3-yl]oxy}oxane-2-carboxylic acid (CHEBI:168992) is a O-acyl carbohydrate (CHEBI:52782)
IUPAC Name 
3,4,5-trihydroxy-6-[1-(4-methoxyphenyl)pentan-3-yloxy]oxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0133009HMDB