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CHEBI:168318 - Pratensin B

ChEBI IDCHEBI:168318
ChEBI NamePratensin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H24O9
Net Charge0
Average Mass444.436
Monoisotopic Mass444.14203
SMILESCCC(C)C(=O)Oc1c(OC)c(OC)c(O)c2c(=O)c(OC)c(-c3ccc(O)cc3)oc12
InChIInChI=1S/C23H24O9/c1-6-11(2)23(27)32-22-18-14(16(26)20(29-4)21(22)30-5)15(25)19(28-3)17(31-18)12-7-9-13(24)10-8-12/h7-11,24,26H,6H2,1-5H3
InChIKeyHGOSLBASTAAYFT-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)
Pratensin B (CHEBI:168318) is a ether (CHEBI:25698)
Pratensin B (CHEBI:168318) is a flavonoids (CHEBI:72544)
IUPAC Name 
[5-hydroxy-2-(4-hydroxyphenyl)-3,6,7-trimethoxy-4-oxochromen-8-yl] 2-methylbutanoate
Manual XrefsDatabases
24845803ChemSpider
LMPK12113304LIPID MAPS