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CHEBI:168078 - 6-Caffeoylsucrose

ChEBI IDCHEBI:168078
ChEBI Name6-Caffeoylsucrose
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H28O14
Net Charge0
Average Mass504.441
Monoisotopic Mass504.14791
SMILESO=C(/C=C/c1ccc(O)c(O)c1)OCC1OC(OC2(CO)OC(CO)C(O)C2O)C(O)C(O)C1O
InChIInChI=1S/C21H28O14/c22-6-12-16(28)19(31)21(8-23,34-12)35-20-18(30)17(29)15(27)13(33-20)7-32-14(26)4-2-9-1-3-10(24)11(25)5-9/h1-5,12-13,15-20,22-25,27-31H,6-8H2/b4-2+
InChIKeyUZUDNVXQOKQTDO-DUXPYHPUSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
6-Caffeoylsucrose (CHEBI:168078) is a hydroxycinnamic acid (CHEBI:24689)
IUPAC Name 
[6-[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Manual XrefsDatabases
HMDB0035486HMDB