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CHEBI:216082 - Aspergicin

ChEBI IDCHEBI:216082
ChEBI NameAspergicin
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SubmitterMetaboLights
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FormulaC20H17N3O4
Net Charge0
Average Mass363.373
Monoisotopic Mass363.12191
SMILESCOc1cc2c3c(c1)c(=O)nc([C@@H]1CCCN1)n3-c1ccccc1C(=O)O2
InChIInChI=1S/C20H17N3O4/c1-26-11-9-13-17-16(10-11)27-20(25)12-5-2-3-7-15(12)23(17)18(22-19(13)24)14-6-4-8-21-14/h2-3,5,7,9-10,14,21H,4,6,8H2,1H3/t14-/m0/s1
InChIKeyCNJSVNCVRSJABJ-AWEZNQCLSA-N
Species of MetaboliteComponentSourceComments
Aspergillusspecies (ncbitaxon:5065) - DOI (10.1007/s10600-011-0053-8)
ChEBI Ontology
Outgoing Relation(s)
Aspergicin (CHEBI:216082) is a quinazolines (CHEBI:38530)
IUPAC Name 
12-methoxy-17-[(2S)-pyrrolidin-2-yl]-9-oxa-1,16-diazatetracyclo[8.7.1.02,7.014,18]octadeca-2,4,6,10,12,14(18),16-heptaene-8,15-dione
Manual XrefsDatabases
28289333ChemSpider