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CHEBI:215889 - Peniciphenalenin B

ChEBI IDCHEBI:215889
ChEBI NamePeniciphenalenin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H20O9
Net Charge0
Average Mass404.371
Monoisotopic Mass404.11073
SMILESCOC(=O)[C@]1(O)OC(=O)C2=C3O[C@H](C)C(C)(C)[C@]3(O)C(=O)c3c(C)cc(O)c1c32
InChIInChI=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
InChIKeyDESDOLHJBVTOSK-RFZPYJOHSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (29734036)
ChEBI Ontology
Outgoing Relation(s)
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 XrefsDatabases
71048832ChemSpider