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CHEBI:198654 - Ammonificin C

ChEBI IDCHEBI:198654
ChEBI NameAmmonificin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H20BrNO6
Net Charge0
Average Mass486.318
Monoisotopic Mass485.04740
SMILESNC[C@H](O)c1ccc(O)c2c1OCC(Oc1cccc(O)c1)=C2c1ccc(O)c(Br)c1
InChIInChI=1S/C23H20BrNO6/c24-16-8-12(4-6-17(16)27)21-20(31-14-3-1-2-13(26)9-14)11-30-23-15(19(29)10-25)5-7-18(28)22(21)23/h1-9,19,26-29H,10-11,25H2/t19-/m0/s1
InChIKeyBGHUTHSYQCTHLF-IBGZPJMESA-N
Species of MetaboliteComponentSourceComments
Thermovibrio ammonificans (ncbitaxon:228745) - PubMed (23170085)
ChEBI Ontology
Outgoing Relation(s)
Ammonificin C (CHEBI:198654) is a neoflavonoid (CHEBI:71971)
IUPAC Name 
8-[(1R)-2-amino-1-hydroxyethyl]-4-(3-bromo-4-hydroxyphenyl)-3-(3-hydroxyphenoxy)-2H-chromen-5-ol
Manual XrefsDatabases
29215234ChemSpider