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CHEBI:185344 - 2-[5-(2,4-dihydroxyphenyl)-6-(5-hydroxy-2,2-dimethyl-2H-chromene-6-carbonyl)-3-methylcyclohex-2-en-1-yl]benzene-1,3-diol

ChEBI IDCHEBI:185344
ChEBI Name2-[5-(2,4-dihydroxyphenyl)-6-(5-hydroxy-2,2-dimethyl-2H-chromene-6-carbonyl)-3-methylcyclohex-2-en-1-yl]benzene-1,3-diol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H30O7
Net Charge0
Average Mass514.574
Monoisotopic Mass514.19915
SMILESCC1=CC(c2c(O)cccc2O)C(C(=O)c2ccc3c(c2O)C=CC(C)(C)O3)C(c2ccc(O)cc2O)C1
InChIInChI=1S/C31H30O7/c1-16-13-21(18-8-7-17(32)15-25(18)35)27(22(14-16)28-23(33)5-4-6-24(28)34)30(37)20-9-10-26-19(29(20)36)11-12-31(2,3)38-26/h4-12,14-15,21-22,27,32-36H,13H2,1-3H3
InChIKeyDVTICQFDQVCFGC-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
2-[5-(2,4-dihydroxyphenyl)-6-(5-hydroxy-2,2-dimethyl-2H-chromene-6-carbonyl)-3-methylcyclohex-2-en-1-yl]benzene-1,3-diol (CHEBI:185344) is a 1-benzopyran (CHEBI:38443)
IUPAC Name 
[6-(2,4-dihydroxyphenyl)-2-(2,6-dihydroxyphenyl)-4-methylcyclohex-3-en-1-yl]-(5-hydroxy-2,2-dimethylchromen-6-yl)methanone
Manual XrefsDatabases
HMDB0126376HMDB