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CHEBI:186765 - (2S)-5,7,3',4'-Tetrahydroxy-6-(1,1-dimethylallyl)flavanone

ChEBI IDCHEBI:186765
ChEBI Name(2S)-5,7,3',4'-Tetrahydroxy-6-(1,1-dimethylallyl)flavanone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H20O6
Net Charge0
Average Mass356.374
Monoisotopic Mass356.12599
SMILESC=CC(C)(C)c1c(O)cc2c(c1O)C(=O)C[C@@H](c1ccc(O)c(O)c1)O2
InChIInChI=1S/C20H20O6/c1-4-20(2,3)18-14(24)9-16-17(19(18)25)13(23)8-15(26-16)10-5-6-11(21)12(22)7-10/h4-7,9,15,21-22,24-25H,1,8H2,2-3H3/t15-/m0/s1
InChIKeyBDPWAJXXQWRYNV-HNNXBMFYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
(2S)-5,7,3',4'-Tetrahydroxy-6-(1,1-dimethylallyl)flavanone (CHEBI:186765) is a flavanones (CHEBI:28863)
IUPAC Name 
(2S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-(2-methylbut-3-en-2-yl)-2,3-dihydrochromen-4-one
Manual XrefsDatabases
8673863ChemSpider
LMPK12140408LIPID MAPS