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CHEBI:49098 - (6R)-2-acetyl-6-(3-acetyl-2,4,6-trihydroxy-5-methylphenyl)-3-hydroxy-6-methylcyclohexa-2,4-dien-1-one

ChEBI IDCHEBI:49098
ChEBI Name(6R)-2-acetyl-6-(3-acetyl-2,4,6-trihydroxy-5-methylphenyl)-3-hydroxy-6-methylcyclohexa-2,4-dien-1-one
Stars
ASCII Name(6R)-2-acetyl-6-(3-acetyl-2,4,6-trihydroxy-5-methylphenyl)-3-hydroxy-6-methylcyclohexa-2,4-dien-1-one
Last Modified24 April 2008
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC18H18O7
Net Charge0
Average Mass346.335
Monoisotopic Mass346.10525
SMILESCC(=O)C1=C(O)C=C[C@](C)(c2c(O)c(C)c(O)c(C(C)=O)c2O)C1=O
InChIInChI=1S/C18H18O7/c1-7-14(22)12(9(3)20)16(24)13(15(7)23)18(4)6-5-10(21)11(8(2)19)17(18)25/h5-6,21-24H,1-4H3/t18-/m1/s1
InChIKeyAMFXPHNKTUIKLV-GOSISDBHSA-N
ChEBI Ontology
Outgoing Relation(s)
(6R)-2-acetyl-6-(3-acetyl-2,4,6-trihydroxy-5-methylphenyl)-3-hydroxy-6-methylcyclohexa-2,4-dien-1-one (CHEBI:49098) has functional parent phloroglucinol (CHEBI:16204)
(6R)-2-acetyl-6-(3-acetyl-2,4,6-trihydroxy-5-methylphenyl)-3-hydroxy-6-methylcyclohexa-2,4-dien-1-one (CHEBI:49098) has parent hydride cyclohexa-1,3-diene (CHEBI:37610)
(6R)-2-acetyl-6-(3-acetyl-2,4,6-trihydroxy-5-methylphenyl)-3-hydroxy-6-methylcyclohexa-2,4-dien-1-one (CHEBI:49098) is a cyclic ketone (CHEBI:3992)
(6R)-2-acetyl-6-(3-acetyl-2,4,6-trihydroxy-5-methylphenyl)-3-hydroxy-6-methylcyclohexa-2,4-dien-1-one (CHEBI:49098) is conjugate acid of (4R)-2-acetyl-4-(3-acetyl-2,4,6-trihydroxy-5-methylphenyl)-4-methyl-3-oxocyclohexa-1,5-dien-1-olate (CHEBI:58781)
Incoming Relation(s)
(4R)-2-acetyl-4-(3-acetyl-2,4,6-trihydroxy-5-methylphenyl)-4-methyl-3-oxocyclohexa-1,5-dien-1-olate (CHEBI:58781) is conjugate base of (6R)-2-acetyl-6-(3-acetyl-2,4,6-trihydroxy-5-methylphenyl)-3-hydroxy-6-methylcyclohexa-2,4-dien-1-one (CHEBI:49098)
IUPAC Name 
(6R)-2-acetyl-6-(3-acetyl-2,4,6-trihydroxy-5-methylphenyl)-3-hydroxy-6-methylcyclohexa-2,4-dien-1-one
Synonym  Source
2-Acetyl-6-(3-acetyl-2,4,6-trihydroxy-5-methylphenyl)-3-hydroxy-6-methyl-2,4-cyclohexadien-1-oneKEGG COMPOUND
Manual XrefsDatabases
C15591KEGG COMPOUND