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CHEBI:218362 - Arthriniumnin A

ChEBI IDCHEBI:218362
ChEBI NameArthriniumnin A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC28H33NO4
Net Charge0
Average Mass447.575
Monoisotopic Mass447.24096
SMILESCC1=C[C@@H]2/C=C/C[C@H](C)C(=O)/C(C)=C/CC(=O)O[C@]23C(=O)NC(Cc2ccccc2)[C@@H]3[C@@H]1C
InChIInChI=1S/C28H33NO4/c1-17-9-8-12-22-15-19(3)20(4)25-23(16-21-10-6-5-7-11-21)29-27(32)28(22,25)33-24(30)14-13-18(2)26(17)31/h5-8,10-13,15,17,20,22-23,25H,9,14,16H2,1-4H3,(H,29,32)/b12-8+,18-13+/t17-,20+,22-,23?,25-,28+/m0/s1
InChIKeyWVTWBOYGCFLJLV-WRFDESLMSA-N
Species of MetaboliteComponentSourceComments
Apiospora arundinis (ncbitaxon:335852) - PubMed (25626143)
ChEBI Ontology
Outgoing Relation(s)
Arthriniumnin A (CHEBI:218362) is a isoindoles (CHEBI:24897)
IUPAC Name 
(1R,5E,8S,10E,12S,15S,16S)-17-benzyl-6,8,14,15-tetramethyl-2-oxa-18-azatricyclo[10.7.0.01,16]nonadeca-5,10,13-triene-3,7,19-trione
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40256711ChemSpider