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CHEBI:200260 - Ammonificin A

ChEBI IDCHEBI:200260
ChEBI NameAmmonificin A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC23H22BrNO6
Net Charge0
Average Mass488.334
Monoisotopic Mass487.06305
SMILESNC[C@H](O)c1ccc(O)c2c1OC[C@@H](Oc1cccc(O)c1)[C@H]2c1ccc(O)c(Br)c1
InChIInChI=1S/C23H22BrNO6/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/h1-9,19-21,26-29H,10-11,25H2/t19-,20+,21+/m0/s1
InChIKeyFLXXHDISQKOVSO-PWRODBHTSA-N
Species of MetaboliteComponentSourceComments
Thermovibrio ammonificans (ncbitaxon:228745) - PubMed (19507867)
ChEBI Ontology
Outgoing Relation(s)
Ammonificin A (CHEBI:200260) is a neoflavonoid (CHEBI:71971)
IUPAC Name 
(3S,4S)-8-[(1R)-2-amino-1-hydroxyethyl]-4-(3-bromo-4-hydroxyphenyl)-3-(3-hydroxyphenoxy)-3,4-dihydro-2H-chromen-5-ol
Manual XrefsDatabases
27024515ChemSpider