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CHEBI:168450 - Limocitrin

Default Structure
ChEBI IDCHEBI:168450
ChEBI NameLimocitrin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H14O8
Net Charge0
Average Mass346.291
Monoisotopic Mass346.06887
SMILESCOc1cc(-c2oc3c(OC)c(O)cc(O)c3c(=O)c2O)ccc1O
InChIInChI=1S/C17H14O8/c1-23-11-5-7(3-4-8(11)18)15-14(22)13(21)12-9(19)6-10(20)16(24-2)17(12)25-15/h3-6,18-20,22H,1-2H3
InChIKeyIBXCKSUZOFKGSB-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)
Limocitrin (CHEBI:168450) is a hydroxyflavan (CHEBI:72010)
IUPAC Name 
3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-8-methoxychromen-4-one
Manual XrefsDatabases
4590163ChemSpider
HMDB0029516HMDB
LMPK12113241LIPID MAPS
Registry NumbersSources
CAS:489-33-8ChemIDplus