CHEBI:205833 - Canescenin 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 Canescenin A
ChEBI ID CHEBI:205833
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C23H26O8
Net Charge 0
Average Mass 430.453
Monoisotopic Mass 430.16277
InChI InChI=1S/C23H26O8/c1-12-8-14-11-29-22(26)16-7-6-15(18(30-13(2)24)10-23(3,4)27)20(28-5)21(16)31-19(14)17(25)9-12/h6-9,18,25,27H,10-11H2,1-5H3/t18-/m0/s1
InChIKey ROOKOBLAFUOGRQ-SFHVURJKSA-N
SMILES O=C1OCC2=C(C(O)=CC(=C2)C)OC3=C1C=CC(=C3OC)[C@@H](OC(=O)C)CC(O)(C)C
Metabolite of Species Details
Penicillium (NCBI:txid5073) See: PubMed
ChEBI Ontology
Outgoing Canescenin A (CHEBI:205833) is a aromatic ether (CHEBI:35618)
IUPAC Name
[3-hydroxy-1-(4-hydroxy-6-methoxy-2-methyl-10-oxo-12H-benzo[b][1,5]benzodioxocin-7-yl)-3-methylbutyl] acetate