EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:215895 - Peniciphenalenin C

ChEBI IDCHEBI:215895
ChEBI NamePeniciphenalenin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H22O9
Net Charge0
Average Mass418.398
Monoisotopic Mass418.12638
SMILESCOC(=O)[C@]1(OC)OC(=O)C2=C3O[C@H](C)C(C)(C)[C@]3(O)C(=O)c3c(C)cc(O)c1c32
InChIInChI=1S/C21H22O9/c1-8-7-10(22)14-12-11(8)15(23)20(26)16(29-9(2)19(20,3)4)13(12)17(24)30-21(14,28-6)18(25)27-5/h7,9,22,26H,1-6H3/t9-,20+,21-/m1/s1
InChIKeyZECYFZISKDKVNL-CGJPHRAZSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (29734036)
ChEBI Ontology
Outgoing Relation(s)
Peniciphenalenin C (CHEBI:215895) is a naphthofuran (CHEBI:39270)
IUPAC Name 
methyl (6R,12R,14R)-4,14-dihydroxy-6-methoxy-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
71048833ChemSpider