CHEBI:200798 - Penikellide 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 Penikellide B
ChEBI ID CHEBI:200798
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C24H30O8
Net Charge 0
Average Mass 446.496
Monoisotopic Mass 446.19407
InChI InChI=1S/C24H30O8/c1-13(2)9-20(29-5)17-7-8-19(21(24(27)28)23(17)30-6)32-22-16(12-31-15(4)25)10-14(3)11-18(22)26/h7-8,10-11,13,20,26H,9,12H2,1-6H3,(H,27,28)/t20-/m0/s1
InChIKey KHTVQHHROPEJOZ-FQEVSTJZSA-N
SMILES O=C(O)C1=C(OC)C(=CC=C1OC2=C(O)C=C(C)C=C2COC(=O)C)[C@@H](OC)CC(C)C
Metabolite of Species Details
Penicillium (NCBI:txid5073) See: DOI
ChEBI Ontology
Outgoing Penikellide B (CHEBI:200798) is a aromatic ether (CHEBI:35618)
IUPAC Name
6-[2-(acetyloxymethyl)-6-hydroxy-4-methylphenoxy]-2-methoxy-3-[(1S)-1-methoxy-3-methylbutyl]benzoic acid
Manual Xref Database
78440836 ChemSpider
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