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CHEBI:221793 - Fusarisetin A

Default Structure
ChEBI IDCHEBI:221793
ChEBI NameFusarisetin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H31NO5
Net Charge0
Average Mass389.492
Monoisotopic Mass389.22022
SMILESC[C@@H]1CC[C@@H]2[C@H](C=C[C@H]3[C@@H]4[C@@H](C)O[C@@]5(O)[C@H](CO)N(C)C(=O)[C@@]45C(=O)[C@@]23C)C1
InChIInChI=1S/C22H31NO5/c1-11-5-7-14-13(9-11)6-8-15-17-12(2)28-22(27)16(10-24)23(4)19(26)21(17,22)18(25)20(14,15)3/h6,8,11-17,24,27H,5,7,9-10H2,1-4H3/t11-,12-,13-,14-,15+,16+,17+,20+,21+,22+/m1/s1
InChIKeyIIZSEOKGOHTBLK-URADCDNJSA-N
Species of MetaboliteComponentSourceComments
Fusariumspecies FN080326 (ncbitaxon:1608308) - PubMed (21500849)
ChEBI Ontology
Outgoing Relation(s)
Fusarisetin A (CHEBI:221793) is a furopyrrole (CHEBI:64471)
IUPAC Name 
(1S,2S,3R,5R,6S,9R,11S,12R,15R,17S)-5-hydroxy-6-(hydroxymethyl)-3,7,11,15-tetramethyl-4-oxa-7-azapentacyclo[9.8.0.02,9.05,9.012,17]nonadec-18-ene-8,10-dione
Manual XrefsDatabases
74175728ChemSpider