EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:227661 - Usenamine B

ChEBI IDCHEBI:227661
ChEBI NameUsenamine B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H23NO7
Net Charge0
Average Mass389.404
Monoisotopic Mass389.14745
SMILESCCO[C@@]12CC(=O)C(C(C)=N)=C(O)[C@]1(C)c1c(O)c(C)c(O)c(C(C)=O)c1O2
InChIInChI=1S/C20H23NO7/c1-6-27-20-7-11(23)12(9(3)21)18(26)19(20,5)14-16(25)8(2)15(24)13(10(4)22)17(14)28-20/h21,24-26H,6-7H2,1-5H3/t19-,20+/m0/s1
InChIKeyMTUUDJPMTRXHFA-VQTJNVASSA-N
Species of MetaboliteComponentSourceComments
Dolichousnea longissima (ncbitaxon:281306) - PubMed (27186821)
ChEBI Ontology
Outgoing Relation(s)
Usenamine B (CHEBI:227661) is a acetophenones (CHEBI:22187)
IUPAC Name 
(4aR,9bS)-6-acetyl-2-ethanimidoyl-4a-ethoxy-1,7,9-trihydroxy-8,9b-dimethyl-4H-dibenzouran-3-one
Manual XrefsDatabases
78438891ChemSpider