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CHEBI:2210 - 6-methoxyaromadendrin 3-O-acetate

ChEBI IDCHEBI:2210
ChEBI Name6-methoxyaromadendrin 3-O-acetate
Stars
ASCII Name6-methoxyaromadendrin 3-O-acetate
DefinitionA trihydroxyflavanone that is aromadendrin 3-O-acetate substituted by a methoxy group at position 6.
Last Modified5 April 2018
DownloadsMolfile
FormulaC18H16O8
Net Charge0
Average Mass360.318
Monoisotopic Mass360.08452
SMILESCOc1c(O)cc2c(c1O)C(=O)[C@H](OC(C)=O)[C@@H](c1ccc(O)cc1)O2
InChIInChI=1S/C18H16O8/c1-8(19)25-18-15(23)13-12(7-11(21)17(24-2)14(13)22)26-16(18)9-3-5-10(20)6-4-9/h3-7,16,18,20-22H,1-2H3/t16-,18+/m1/s1
InChIKeySZKFMAOEZUMSRT-AEFFLSMTSA-N
ChEBI Ontology
Outgoing Relation(s)
6-methoxyaromadendrin 3-O-acetate (CHEBI:2210) has functional parent (+)-dihydrokaempferol (CHEBI:15401)
6-methoxyaromadendrin 3-O-acetate (CHEBI:2210) is a 4'-hydroxyflavanones (CHEBI:140331)
6-methoxyaromadendrin 3-O-acetate (CHEBI:2210) is a acetate ester (CHEBI:47622)
6-methoxyaromadendrin 3-O-acetate (CHEBI:2210) is a monomethoxyflavanone (CHEBI:38738)
6-methoxyaromadendrin 3-O-acetate (CHEBI:2210) is a trihydroxyflavanone (CHEBI:38739)
IUPAC Name 
(2R,3R)-5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methoxy-4-oxo-3,4-dihydro-2H-1-benzopyran-3-yl acetate
Synonym  Source
3,5,7,4'-Tetrahydroxy-6-methoxyflavanone 3-acetateKNApSAcK
Manual XrefsDatabases
C09764KEGG COMPOUND
C00000979KNApSAcK
Registry NumbersSources
Reaxys:4211811Reaxys
CAS:130926-71-5KEGG COMPOUND