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CHEBI:167944 - Phyllocoumarin

ChEBI IDCHEBI:167944
ChEBI NamePhyllocoumarin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H14O7
Net Charge0
Average Mass342.303
Monoisotopic Mass342.07395
SMILESO=c1ccc2c3c(c(O)cc2o1)C[C@H](O)[C@@H](c1ccc(O)c(O)c1)O3
InChIInChI=1S/C18H14O7/c19-11-3-1-8(5-13(11)21)17-14(22)6-10-12(20)7-15-9(18(10)25-17)2-4-16(23)24-15/h1-5,7,14,17,19-22H,6H2/t14-,17+/m0/s1
InChIKeyJXVQELAURPRTFD-WMLDXEAASA-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)
Phyllocoumarin (CHEBI:167944) is a catechin (CHEBI:23053)
IUPAC Name 
(2R,3S)-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-3,4-dihydro-2H-pyrano[2,3-]chromen-8-one
Manual XrefsDatabases
LMPK12020070LIPID MAPS
24842546ChemSpider