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CHEBI:216706 - Fumigatoside F

ChEBI IDCHEBI:216706
ChEBI NameFumigatoside F
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SubmitterMetaboLights
DownloadsMolfile
FormulaC22H20N4O5
Net Charge0
Average Mass420.425
Monoisotopic Mass420.14337
SMILESC[C@@H]1N[C@H]2N(C1=O)c1ccccc1[C@@]2(O)C[C@H](C(=O)O)n1cnc2ccccc2c1=O
InChIInChI=1S/C22H20N4O5/c1-12-18(27)26-16-9-5-3-7-14(16)22(31,21(26)24-12)10-17(20(29)30)25-11-23-15-8-4-2-6-13(15)19(25)28/h2-9,11-12,17,21,24,31H,10H2,1H3,(H,29,30)/t12-,17+,21-,22-/m0/s1
InChIKeyWCYXOSYIQMJQDP-TYTLQBBQSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (30231470)
ChEBI Ontology
Outgoing Relation(s)
Fumigatoside F (CHEBI:216706) is a quinazolines (CHEBI:38530)
IUPAC Name 
(2R)-3-[(2S,3aS,4S)-4-hydroxy-2-methyl-1-oxo-3,3a-dihydro-2H-imidazo[1,2-a]indol-4-yl]-2-(4-oxoquinazolin-3-yl)propanoic acid
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68016392ChemSpider