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CHEBI:216700 - Fumigatoside E

ChEBI IDCHEBI:216700
ChEBI NameFumigatoside E
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FormulaC21H16N4O3
Net Charge0
Average Mass372.384
Monoisotopic Mass372.12224
SMILESO=C1N[C@]2(CO)c3nc4ccccc4c3C[C@@H]1n1c2nc2ccccc2c1=O
InChIInChI=1S/C21H16N4O3/c26-10-21-17-13(11-5-1-3-7-14(11)22-17)9-16(18(27)24-21)25-19(28)12-6-2-4-8-15(12)23-20(21)25/h1-8,16,22,26H,9-10H2,(H,24,27)/t16-,21+/m0/s1
InChIKeyPDRJRCRQWXQTLZ-HRAATJIYSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (30231470)
ChEBI Ontology
Outgoing Relation(s)
Fumigatoside E (CHEBI:216700) is a organic heterobicyclic compound (CHEBI:27171)
Fumigatoside E (CHEBI:216700) is a organonitrogen heterocyclic compound (CHEBI:38101)
IUPAC Name 
(1R,12S)-1-(hydroxymethyl)-3,13,21,23-tetrazahexacyclo[10.10.2.02,10.04,9.013,22.015,20]tetracosa-2(10),4,6,8,15,17,19,21-octaene-14,24-dione
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68016391ChemSpider