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CHEBI:168004 - Domesticoside

ChEBI IDCHEBI:168004
ChEBI NameDomesticoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H20O9
Net Charge0
Average Mass344.316
Monoisotopic Mass344.11073
SMILESCOc1cc(O)c(C(C)=O)c(OC2OC(CO)C(O)C(O)C2O)c1
InChIInChI=1S/C15H20O9/c1-6(17)11-8(18)3-7(22-2)4-9(11)23-15-14(21)13(20)12(19)10(5-16)24-15/h3-4,10,12-16,18-21H,5H2,1-2H3
InChIKeyXERRGONJPVYTDB-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)
Domesticoside (CHEBI:168004) is a glycoside (CHEBI:24400)
IUPAC Name 
1-[2-hydroxy-4-methoxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]ethanone
Manual XrefsDatabases
HMDB0029647HMDB