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CHEBI:218366 - Arthriniumnin B

ChEBI IDCHEBI:218366
ChEBI NameArthriniumnin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H33NO5
Net Charge0
Average Mass463.574
Monoisotopic Mass463.23587
SMILESCC1=C[C@@H]2/C=C/C[C@H](C)C(=O)[C@]3(C)O[C@H]3CC(=O)O[C@]23C(=O)N[C@@H](Cc2ccccc2)[C@@H]3[C@@H]1C
InChIInChI=1S/C28H33NO5/c1-16-9-8-12-20-13-17(2)18(3)24-21(14-19-10-6-5-7-11-19)29-26(32)28(20,24)34-23(30)15-22-27(4,33-22)25(16)31/h5-8,10-13,16,18,20-22,24H,9,14-15H2,1-4H3,(H,29,32)/b12-8+/t16-,18+,20-,21-,22-,24-,27+,28+/m0/s1
InChIKeyIXKKQGZMSHLBNL-SKMTXXJCSA-N
Species of MetaboliteComponentSourceComments
Apiospora arundinis (ncbitaxon:335852) - PubMed (25626143)
ChEBI Ontology
Outgoing Relation(s)
Arthriniumnin B (CHEBI:218366) is a lactam (CHEBI:24995)
Arthriniumnin B (CHEBI:218366) is a macrolide (CHEBI:25106)
IUPAC Name 
(1R,5S,7R,9S,11E,13S,16S,17S,18S)-18-benzyl-7,9,15,16-tetramethyl-2,6-dioxa-19-azatetracyclo[11.7.0.01,17.05,7]icosa-11,14-diene-3,8,20-trione