CHEBI:215889 - Peniciphenalenin 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 Peniciphenalenin B
ChEBI ID CHEBI:215889
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H20O9
Net Charge 0
Average Mass 404.371
Monoisotopic Mass 404.11073
InChI InChI=1S/C20H20O9/c1-7-6-9(21)13-11-10(7)14(22)19(25)15(28-8(2)18(19,3)4)12(11)16(23)29-20(13,26)17(24)27-5/h6,8,21,25-26H,1-5H3/t8-,19+,20-/m1/s1
InChIKey DESDOLHJBVTOSK-RFZPYJOHSA-N
SMILES O=C1O[C@](O)(C=2C(O)=CC(=C3C2C1=C4O[C@H](C)C([C@]4(O)C3=O)(C)C)C)C(=O)OC
Metabolite of Species Details
Penicillium (NCBI:txid5073) See: PubMed
ChEBI Ontology
Outgoing Peniciphenalenin B (CHEBI:215889) is a naphthofuran (CHEBI:39270)
IUPAC Name
methyl (6R,12R,14R)-4,6,14-trihydroxy-2,12,13,13-tetramethyl-8,15-dioxo-7,11-dioxatetracyclo[7.6.1.05,16.010,14]hexadeca-1(16),2,4,9-tetraene-6-carboxylate
Manual Xref Database
71048832 ChemSpider
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