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CHEBI:185120 - Desmosdumotin C

ChEBI IDCHEBI:185120
ChEBI NameDesmosdumotin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H20O4
Net Charge0
Average Mass312.365
Monoisotopic Mass312.13616
SMILESCOC1=C(C)C(O)=C(C(=O)/C=C/c2ccccc2)C(=O)C1(C)C
InChIInChI=1S/C19H20O4/c1-12-16(21)15(17(22)19(2,3)18(12)23-4)14(20)11-10-13-8-6-5-7-9-13/h5-11,21H,1-4H3/b11-10+
InChIKeyATPDRDNAXQXSQJ-ZHACJKMWSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Desmosdumotin C (CHEBI:185120) has functional parent cinnamic acid (CHEBI:27386)
Desmosdumotin C (CHEBI:185120) is a olefinic compound (CHEBI:78840)
IUPAC Name 
3-hydroxy-5-methoxy-4,6,6-trimethyl-2-[(E)-3-phenylprop-2-enoyl]cyclohexa-2,4-dien-1-one
Manual XrefsDatabases
LMPK12120421LIPID MAPS
4979528ChemSpider