CHEBI:203897 - Citrifelin A

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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 A
ChEBI ID CHEBI:203897
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H22O4
Net Charge 0
Average Mass 326.392
Monoisotopic Mass 326.15181
InChI InChI=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
InChIKey BXIIDDHHSRQLLO-PQNMDKLMSA-N
SMILES O1C2=C3C(=C(C)C(=C2)O)[C@@H]([C@@H](C)O[C@@H]3C[C@@H]1C4=CC=C(O)C=C4)C
Metabolite of Species Details
Penicillium citrinum (NCBI:txid5077) See: PubMed
ChEBI Ontology
Outgoing 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 Xref Database
40256566 ChemSpider
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