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CHEBI:2382 - acerosin

ChEBI IDCHEBI:2382
ChEBI Nameacerosin
Stars
DefinitionA trihydroxyflavone that is 5,7,3'-trihydroxyflavone with methoxy substituents at positions 6, 8 and 4' respectively.
Last Modified28 July 2014
DownloadsMolfile
FormulaC18H16O8
Net Charge0
Average Mass360.318
Monoisotopic Mass360.08452
SMILESCOc1ccc(-c2cc(=O)c3c(O)c(OC)c(O)c(OC)c3o2)cc1O
InChIInChI=1S/C18H16O8/c1-23-11-5-4-8(6-9(11)19)12-7-10(20)13-14(21)17(24-2)15(22)18(25-3)16(13)26-12/h4-7,19,21-22H,1-3H3
InChIKeyBTMNGQCCCWTUQH-UHFFFAOYSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
acerosin (CHEBI:2382) has role metabolite (CHEBI:25212)
acerosin (CHEBI:2382) is a trihydroxyflavone (CHEBI:27116)
acerosin (CHEBI:2382) is a trimethoxyflavone (CHEBI:27124)
IUPAC Name 
5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-6,8-dimethoxy-4H-chromen-4-one
Synonyms  Source
AcerosinKEGG COMPOUND
5,7,3'-trihydroxy-6,8,4'-trimethoxyflavoneChEBI
Manual XrefsDatabases
C09982KEGG COMPOUND
HMDB0030812HMDB
LMPK12111473LIPID MAPS
C00003930KNApSAcK
Registry NumbersSources
Reaxys:1406179Reaxys
CAS:15835-74-2KEGG COMPOUND
CAS:15835-74-2ChemIDplus
Citations