CHEBI:215201 - Secopenicillide 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 Secopenicillide B
ChEBI ID CHEBI:215201
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C24H28O8
Net Charge 0
Average Mass 444.480
Monoisotopic Mass 444.17842
InChI InChI=1S/C24H28O8/c1-13(2)9-20(31-15(4)26)17-7-8-19(21(23(17)29-5)24(28)30-6)32-22-16(12-25)10-14(3)11-18(22)27/h7-8,10-13,20,27H,9H2,1-6H3/t20-/m0/s1
InChIKey IVYIJUUWHCVYGS-FQEVSTJZSA-N
SMILES O=C(OC)C1=C(OC)C(=CC=C1OC2=C(O)C=C(C)C=C2C=O)[C@@H](OC(=O)C)CC(C)C
Metabolite of Species Details
Penicillium simplicissimum (NCBI:txid69488) See: PubMed
ChEBI Ontology
Outgoing Secopenicillide B (CHEBI:215201) is a aromatic ether (CHEBI:35618)
IUPAC Name
methyl 3-[(1S)-1-acetyloxy-3-methylbutyl]-6-(2-ormyl-6-hydroxy-4-methylphenoxy)-2-methoxybenzoate
Manual Xref Database
78441140 ChemSpider
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