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CHEBI:184607 - Limocitrin 7-(6''-acetylglucoside)

ChEBI IDCHEBI:184607
ChEBI NameLimocitrin 7-(6''-acetylglucoside)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H26O14
Net Charge0
Average Mass550.469
Monoisotopic Mass550.13226
SMILESCOc1cc(-c2oc3c(OC)c(OC4OC(COC(C)=O)C(O)C(O)C4O)cc(O)c3c(=O)c2O)ccc1O
InChIInChI=1S/C25H26O14/c1-9(26)36-8-15-17(29)19(31)21(33)25(38-15)37-14-7-12(28)16-18(30)20(32)22(39-24(16)23(14)35-3)10-4-5-11(27)13(6-10)34-2/h4-7,15,17,19,21,25,27-29,31-33H,8H2,1-3H3
InChIKeyHKJIEFCRBAQGKS-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Limocitrin 7-(6''-acetylglucoside) (CHEBI:184607) is a flavonoids (CHEBI:72544)
Limocitrin 7-(6''-acetylglucoside) (CHEBI:184607) is a glycoside (CHEBI:24400)
IUPAC Name 
[6-[3,5-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-8-methoxy-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate
Manual XrefsDatabases
24845746ChemSpider
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