EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:204998 - Ammonificin D

ChEBI IDCHEBI:204998
ChEBI NameAmmonificin D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H19Br2NO5
Net Charge0
Average Mass549.215
Monoisotopic Mass546.96300
SMILESNC[C@H](O)c1ccc(O)c2c1OCC(Oc1cccc(O)c1)=C2c1ccc(Br)c(Br)c1
InChIInChI=1S/C23H19Br2NO5/c24-16-6-4-12(8-17(16)25)21-20(31-14-3-1-2-13(27)9-14)11-30-23-15(19(29)10-26)5-7-18(28)22(21)23/h1-9,19,27-29H,10-11,26H2/t19-/m0/s1
InChIKeyVWTJIFOHURQSME-IBGZPJMESA-N
Species of MetaboliteComponentSourceComments
Thermovibrio ammonificans (ncbitaxon:228745) - PubMed (23170085)
ChEBI Ontology
Outgoing Relation(s)
Ammonificin D (CHEBI:204998) is a neoflavonoid (CHEBI:71971)
IUPAC Name 
8-[(1R)-2-amino-1-hydroxyethyl]-4-(3,4-dibromophenyl)-3-(3-hydroxyphenoxy)-2H-chromen-5-ol
Manual XrefsDatabases
29215235ChemSpider