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CHEBI:226887 - 7-Hydroxy-7'-methoxyperonatin B

ChEBI IDCHEBI:226887
ChEBI Name7-Hydroxy-7'-methoxyperonatin B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC21H22N2O4
Net Charge0
Average Mass366.417
Monoisotopic Mass366.15796
SMILESCOc1ccc(C)c2c1N[C@](C)([C@]1(C)Nc3c(O)ccc(C)c3C1=O)C2=O
InChIInChI=1S/C21H22N2O4/c1-10-6-8-12(24)16-14(10)18(25)20(3,22-16)21(4)19(26)15-11(2)7-9-13(27-5)17(15)23-21/h6-9,22-24H,1-5H3/t20-,21+/m1/s1
InChIKeyUKGKNTJQIKSVFU-RTWAWAEBSA-N
Species of MetaboliteComponentSourceComments
Collybiopsis peronata (ncbitaxon:2909142) - DOI (10.1021/np50108a030)
ChEBI Ontology
Outgoing Relation(s)
7-Hydroxy-7'-methoxyperonatin B (CHEBI:226887) is a indoles (CHEBI:24828)
IUPAC Name 
(2S)-7-hydroxy-2-[(2R)-7-methoxy-2,4-dimethyl-3-oxo-1H-indol-2-yl]-2,4-dimethyl-1H-indol-3-one
Manual XrefsDatabases
78438359ChemSpider