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CHEBI:183847 - 1-[2,4,6-trihydroxy-3-[7-hydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2h-chromen-4-yl]phenyl]dodecan-1-one

ChEBI IDCHEBI:183847
ChEBI Name1-[2,4,6-trihydroxy-3-[7-hydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2h-chromen-4-yl]phenyl]dodecan-1-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H40O7
Net Charge0
Average Mass548.676
Monoisotopic Mass548.27740
SMILESCCCCCCCCCCCC(=O)c1c(O)cc(O)c(C2CC(c3ccc(O)cc3)Oc3cc(O)ccc32)c1O
InChIInChI=1S/C33H40O7/c1-2-3-4-5-6-7-8-9-10-11-26(36)32-28(38)20-27(37)31(33(32)39)25-19-29(21-12-14-22(34)15-13-21)40-30-18-23(35)16-17-24(25)30/h12-18,20,25,29,34-35,37-39H,2-11,19H2,1H3
InChIKeyJGXZVDAPLSTBGZ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) small intestine (BTO:0000651) MetaboLights (MTBLS3486) Strain: C57BL/6 Mouse [THESAURUS.OWL#C14424]
Nippostrongylus brasiliensis (ncbitaxon:27835) Whole Organism (NCIT:C13413) MetaboLights (MTBLS3486)
ChEBI Ontology
Outgoing Relation(s)
1-[2,4,6-trihydroxy-3-[7-hydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2h-chromen-4-yl]phenyl]dodecan-1-one (CHEBI:183847) is a hydroxyflavonoid (CHEBI:71968)
IUPAC Name 
1-[2,4,6-trihydroxy-3-[7-hydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]phenyl]dodecan-1-one
Manual XrefsDatabases
116634ChemSpider
Registry NumbersSources
CAS:137130-31-5ChemIDplus