EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:219077 - Citrifelin B

ChEBI IDCHEBI:219077
ChEBI NameCitrifelin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H24O5
Net Charge0
Average Mass356.418
Monoisotopic Mass356.16237
SMILESCOc1cc([C@H]2C[C@H]3O[C@H](C)[C@@H](C)c4c(C)c(O)cc(c43)O2)ccc1O
InChIInChI=1S/C21H24O5/c1-10-12(3)25-19-9-16(13-5-6-14(22)17(7-13)24-4)26-18-8-15(23)11(2)20(10)21(18)19/h5-8,10,12,16,19,22-23H,9H2,1-4H3/t10-,12-,16-,19-/m1/s1
InChIKeyVLLDKCORIPYEDM-ILKIAPMBSA-N
Species of MetaboliteComponentSourceComments
Penicillium citrinum (ncbitaxon:5077) - PubMed (26295595)
ChEBI Ontology
Outgoing Relation(s)
Citrifelin B (CHEBI:219077) is a ether (CHEBI:25698)
Citrifelin B (CHEBI:219077) is a flavonoids (CHEBI:72544)
IUPAC Name 
(3R,5R,7R,8S)-3-(4-hydroxy-3-methoxyphenyl)-7,8,10-trimethyl-2,6-dioxatricyclo[7.3.1.05,13]trideca-1(13),9,11-trien-11-ol
Manual XrefsDatabases
40256567ChemSpider