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CHEBI:184572 - Tunicatachalcone

ChEBI IDCHEBI:184572
ChEBI NameTunicatachalcone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H30O4
Net Charge0
Average Mass406.522
Monoisotopic Mass406.21441
SMILESCOC1=CC(=O)C(CC=C(C)C)(CC=C(C)C)C(=O)/C1=C(O)/C=C/c1ccccc1
InChIInChI=1S/C26H30O4/c1-18(2)13-15-26(16-14-19(3)4)23(28)17-22(30-5)24(25(26)29)21(27)12-11-20-9-7-6-8-10-20/h6-14,17,27H,15-16H2,1-5H3/b12-11+,24-21-
InChIKeyFHECBCWIVGBBEG-OKCWMKPZSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Tunicatachalcone (CHEBI:184572) is a styrenes (CHEBI:26799)
IUPAC Name 
(6Z)-6-[(E)-1-hydroxy-3-phenylprop-2-enylidene]-5-methoxy-2,2-bis(3-methylbut-2-enyl)cyclohex-4-ene-1,3-dione
Manual XrefsDatabases
4481795ChemSpider