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CHEBI:198949 - 7,7'-Dimethoxyperonatin B

ChEBI IDCHEBI:198949
ChEBI Name7,7'-Dimethoxyperonatin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H24N2O4
Net Charge0
Average Mass380.444
Monoisotopic Mass380.17361
SMILESCOc1ccc(C)c2c1N[C@](C)([C@]1(C)Nc3c(OC)ccc(C)c3C1=O)C2=O
InChIInChI=1S/C22H24N2O4/c1-11-7-9-13(27-5)17-15(11)19(25)21(3,23-17)22(4)20(26)16-12(2)8-10-14(28-6)18(16)24-22/h7-10,23-24H,1-6H3/t21-,22+
InChIKeyVJPYNRLFQXJJDD-SZPZYZBQSA-N
Species of MetaboliteComponentSourceComments
Collybiopsis peronata (ncbitaxon:2909142) - DOI (10.1021/np50108a030)
ChEBI Ontology
Outgoing Relation(s)
7,7'-Dimethoxyperonatin B (CHEBI:198949) is a indoles (CHEBI:24828)
IUPAC Name 
(2S)-7-methoxy-2-[(2R)-7-methoxy-2,4-dimethyl-3-oxo-1H-indol-2-yl]-2,4-dimethyl-1H-indol-3-one
Manual XrefsDatabases
347611ChemSpider