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CHEBI:210577 - Ammonificin B

ChEBI IDCHEBI:210577
ChEBI NameAmmonificin B
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SubmitterMetaboLights
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FormulaC23H21Br2NO5
Net Charge0
Average Mass551.231
Monoisotopic Mass548.97865
SMILESNC[C@H](O)c1ccc(O)c2c1OC[C@@H](Oc1cccc(O)c1)[C@H]2c1ccc(Br)c(Br)c1
InChIInChI=1S/C23H21Br2NO5/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/h1-9,19-21,27-29H,10-11,26H2/t19-,20+,21+/m0/s1
InChIKeyRXHDLZKGVZUGQS-PWRODBHTSA-N
Species of MetaboliteComponentSourceComments
Thermovibrio ammonificans (ncbitaxon:228745) - PubMed (19507867)
ChEBI Ontology
Outgoing Relation(s)
Ammonificin B (CHEBI:210577) is a neoflavonoid (CHEBI:71971)
IUPAC Name 
(3S,4S)-8-[(1R)-2-amino-1-hydroxyethyl]-4-(3,4-dibromophenyl)-3-(3-hydroxyphenoxy)-3,4-dihydro-2H-chromen-5-ol
Manual XrefsDatabases
27024516ChemSpider