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CHEBI:218373 - Arthriniumnin C

ChEBI IDCHEBI:218373
ChEBI NameArthriniumnin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H33NO5
Net Charge0
Average Mass463.574
Monoisotopic Mass463.23587
SMILESCC1=C[C@@H]2/C=C/C[C@H](CO)C(=O)/C(C)=C/CC(=O)O[C@]23C(=O)N[C@@H](Cc2ccccc2)[C@@H]3[C@@H]1C
InChIInChI=1S/C28H33NO5/c1-17-12-13-24(31)34-28-22(11-7-10-21(16-30)26(17)32)14-18(2)19(3)25(28)23(29-27(28)33)15-20-8-5-4-6-9-20/h4-9,11-12,14,19,21-23,25,30H,10,13,15-16H2,1-3H3,(H,29,33)/b11-7+,17-12+/t19-,21-,22+,23+,25+,28-/m1/s1
InChIKeyWGJCFCYYNWPHFR-LWRPEJHHSA-N
Species of MetaboliteComponentSourceComments
Apiospora arundinis (ncbitaxon:335852) - PubMed (25626143)
ChEBI Ontology
Outgoing Relation(s)
Arthriniumnin C (CHEBI:218373) is a isoindoles (CHEBI:24897)
IUPAC Name 
(1R,5E,8R,10E,12S,15S,16S,17S)-17-benzyl-8-(hydroxymethyl)-6,14,15-trimethyl-2-oxa-18-azatricyclo[10.7.0.01,16]nonadeca-5,10,13-triene-3,7,19-trione