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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 6-methoxyaromadendrin 3-O-acetate
ChEBI ID CHEBI:2210
ChEBI ASCII Name 6-methoxyaromadendrin 3-O-acetate
Definition A trihydroxyflavanone that is aromadendrin 3-O-acetate substituted by a methoxy group at position 6.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C18H16O8
Net Charge 0
Average Mass 360.31480
Monoisotopic Mass 360.08452
InChI InChI=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
InChIKey SZKFMAOEZUMSRT-AEFFLSMTSA-N
SMILES COc1c(O)cc2O[C@@H]([C@@H](OC(C)=O)C(=O)c2c1O)c1ccc(O)cc1
ChEBI Ontology
Outgoing 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-acetate KNApSAcK
Manual Xrefs Databases
C00000979 KNApSAcK
C09764 KEGG COMPOUND
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Registry Numbers Types Sources
130926-71-5 CAS Registry Number KEGG COMPOUND
4211811 Reaxys Registry Number Reaxys
Last Modified
05 April 2018