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CHEBI:230594 - lmpk12050050

Default Structure
ChEBI IDCHEBI:230594
ChEBI Namelmpk12050050
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H20O5
Net Charge0
Average Mass352.386
Monoisotopic Mass352.13107
SMILESCOc1ccc(-c2coc3cc(OCC=C(C)C)ccc3c2=O)cc1O
InChIInChI=1S/C21H20O5/c1-13(2)8-9-25-15-5-6-16-20(11-15)26-12-17(21(16)23)14-4-7-19(24-3)18(22)10-14/h4-8,10-12,22H,9H2,1-3H3
InChIKeyBGBPWPNAHAYZRE-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS9087)
ChEBI Ontology
Outgoing Relation(s)
lmpk12050050 (CHEBI:230594) is a organic molecular entity (CHEBI:50860)
IUPAC Name 
3-(3-hydroxy-4-methoxyphenyl)-7-(3-methylbut-2-enoxy)chromen-4-one
Manual XrefsDatabases
24842710ChemSpider
LMPK12050050LIPID MAPS