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CHEBI:185217 - Denticulaflavonol

ChEBI IDCHEBI:185217
ChEBI NameDenticulaflavonol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H42O6
Net Charge0
Average Mass558.715
Monoisotopic Mass558.29814
SMILESC=C1CCC2C(C)(C)CCCC2(C)C1CC/C(C)=C/Cc1c(O)cc2oc(-c3ccc(O)cc3)c(O)c(=O)c2c1O
InChIInChI=1S/C35H42O6/c1-20(8-15-25-21(2)9-16-28-34(3,4)17-6-18-35(25,28)5)7-14-24-26(37)19-27-29(30(24)38)31(39)32(40)33(41-27)22-10-12-23(36)13-11-22/h7,10-13,19,25,28,36-38,40H,2,6,8-9,14-18H2,1,3-5H3/b20-7+
InChIKeyVLQNALFJVBGYOK-IFRROFPPSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Denticulaflavonol (CHEBI:185217) is a flavones (CHEBI:24043)
IUPAC Name 
6-[(E)-5-(5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl)-3-methylpent-2-enyl]-3,5,7-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one
Manual XrefsDatabases
8206238ChemSpider
LMPK12111996LIPID MAPS