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CHEBI:216658 - Scedapin E

ChEBI IDCHEBI:216658
ChEBI NameScedapin E
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SubmitterMetaboLights
DownloadsMolfile
FormulaC23H19N3O5
Net Charge0
Average Mass417.421
Monoisotopic Mass417.13247
SMILESCC1(C)C(=O)c2nc3ccccc3c(=O)n2[C@@H]2C[C@@]3(O[C@@]21O)C(=O)Nc1ccccc13
InChIInChI=1S/C23H19N3O5/c1-21(2)17(27)18-24-14-9-5-3-7-12(14)19(28)26(18)16-11-22(31-23(16,21)30)13-8-4-6-10-15(13)25-20(22)29/h3-10,16,30H,11H2,1-2H3,(H,25,29)/t16-,22+,23+/m1/s1
InChIKeyBHSVORMFPXUPEG-XARZLDAJSA-N
Species of MetaboliteComponentSourceComments
Scedosporium (ncbitaxon:41687) - PubMed (28837349)
ChEBI Ontology
Outgoing Relation(s)
Scedapin E (CHEBI:216658) is a pyridopyrimidine (CHEBI:38932)
IUPAC Name 
(11R,13S,15R)-15-hydroxy-16,16-dimethylspiro[14-oxa-2,10-diazatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3,5,7-tetraene-13,3'-1H-indole]-2',9,17-trione
Manual XrefsDatabases
62285721ChemSpider