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CHEBI:203897 - Citrifelin A

ChEBI IDCHEBI:203897
ChEBI NameCitrifelin A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC20H22O4
Net Charge0
Average Mass326.392
Monoisotopic Mass326.15181
SMILESCc1c(O)cc2c3c1[C@H](C)[C@@H](C)O[C@@H]3C[C@H](c1ccc(O)cc1)O2
InChIInChI=1S/C20H22O4/c1-10-12(3)23-18-9-16(13-4-6-14(21)7-5-13)24-17-8-15(22)11(2)19(10)20(17)18/h4-8,10,12,16,18,21-22H,9H2,1-3H3/t10-,12-,16-,18-/m1/s1
InChIKeyBXIIDDHHSRQLLO-PQNMDKLMSA-N
Species of MetaboliteComponentSourceComments
Penicillium citrinum (ncbitaxon:5077) - PubMed (26295595)
ChEBI Ontology
Outgoing Relation(s)
Citrifelin A (CHEBI:203897) is a hydroxyflavonoid (CHEBI:71968)
IUPAC Name 
(3R,5R,7R,8S)-3-(4-hydroxyphenyl)-7,8,10-trimethyl-2,6-dioxatricyclo[7.3.1.05,13]trideca-1(13),9,11-trien-11-ol
Manual XrefsDatabases
40256566ChemSpider