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CHEBI:169466 - Citrusin F

ChEBI IDCHEBI:169466
ChEBI NameCitrusin F
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H32O14
Net Charge0
Average Mass520.484
Monoisotopic Mass520.17921
SMILESCOC(=O)CCc1ccc(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)c(O)c1
InChIInChI=1S/C22H32O14/c1-32-14(25)5-3-9-2-4-11(10(24)6-9)34-22-20(31)18(29)16(27)13(36-22)8-33-21-19(30)17(28)15(26)12(7-23)35-21/h2,4,6,12-13,15-24,26-31H,3,5,7-8H2,1H3
InChIKeyYLQXQJFWCRRNGA-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)
Citrusin F (CHEBI:169466) is a glycoside (CHEBI:24400)
IUPAC Name 
methyl 3-[3-hydroxy-4-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyphenyl]propanoate
Manual XrefsDatabases
HMDB0039235HMDB