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CHEBI:186818 - (S)-4'-Hydroxy-4-methoxydalbergione

ChEBI IDCHEBI:186818
ChEBI Name(S)-4'-Hydroxy-4-methoxydalbergione
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H14O4
Net Charge0
Average Mass270.284
Monoisotopic Mass270.08921
SMILESC=C[C@H](C1=CC(=O)C(OC)=CC1=O)c1ccc(O)cc1
InChIInChI=1S/C16H14O4/c1-3-12(10-4-6-11(17)7-5-10)13-8-15(19)16(20-2)9-14(13)18/h3-9,12,17H,1H2,2H3/t12-/m0/s1
InChIKeyDLCVFIMWFKVRTM-LBPRGKRZSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
(S)-4'-Hydroxy-4-methoxydalbergione (CHEBI:186818) is a neoflavonoid (CHEBI:71971)
IUPAC Name 
2-[(1S)-1-(4-hydroxyphenyl)prop-2-enyl]-5-methoxycyclohexa-2,5-diene-1,4-dione
Manual XrefsDatabases
LMPK12100073LIPID MAPS
21782013ChemSpider