CHEBI:168450 - Limocitrin

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Limocitrin
ChEBI ID CHEBI:168450
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C17H14O8
Net Charge 0
Average Mass 346.291
Monoisotopic Mass 346.06887
InChI InChI=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
InChIKey IBXCKSUZOFKGSB-UHFFFAOYSA-N
SMILES O1C2=C(C(=O)C(O)=C1C3=CC(OC)=C(O)C=C3)C(O)=CC(O)=C2OC
Metabolite of Species Details
Malus domestica (NCBI:txid3750) Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue See: MetaboLights Study
ChEBI Ontology
Outgoing Limocitrin (CHEBI:168450) is a hydroxyflavan (CHEBI:72010)
IUPAC Name
3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-8-methoxychromen-4-one
Manual Xrefs Databases
4590163 ChemSpider
HMDB0029516 HMDB
LMPK12113241 LIPID MAPS
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Registry Number Type Source
489-33-8 CAS Registry Number ChemIDplus