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CHEBI:168259 - Limocitrol

ChEBI IDCHEBI:168259
ChEBI NameLimocitrol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H16O9
Net Charge0
Average Mass376.317
Monoisotopic Mass376.07943
SMILESCOc1cc(-c2oc3c(OC)c(O)c(OC)c(O)c3c(=O)c2O)ccc1O
InChIInChI=1S/C18H16O9/c1-24-9-6-7(4-5-8(9)19)15-13(22)11(20)10-12(21)17(25-2)14(23)18(26-3)16(10)27-15/h4-6,19,21-23H,1-3H3
InChIKeyLCKHNFJHVWUHTR-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)
Limocitrol (CHEBI:168259) is a hydroxyflavan (CHEBI:72010)
IUPAC Name 
3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6,8-dimethoxychromen-4-one
Manual XrefsDatabases
10228270ChemSpider
HMDB0037691HMDB
LMPK12113333LIPID MAPS
Registry NumbersSources
CAS:549-10-0ChemIDplus