CHEBI:219077 - Citrifelin B

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Citrifelin B
ChEBI ID CHEBI:219077
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H24O5
Net Charge 0
Average Mass 356.418
Monoisotopic Mass 356.16237
InChI InChI=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
InChIKey VLLDKCORIPYEDM-ILKIAPMBSA-N
SMILES O1C2=C3C(=C(C)C(=C2)O)[C@@H]([C@@H](C)O[C@@H]3C[C@@H]1C4=CC(OC)=C(O)C=C4)C
Metabolite of Species Details
Penicillium citrinum (NCBI:txid5077) See: PubMed
ChEBI Ontology
Outgoing 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 Xref Database
40256567 ChemSpider
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