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CHEBI:226741 - Cottoquinazoline E

ChEBI IDCHEBI:226741
ChEBI NameCottoquinazoline E
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SubmitterMetaboLights
DownloadsMolfile
FormulaC23H19N5O4
Net Charge0
Average Mass429.436
Monoisotopic Mass429.14370
SMILESC[C@H]1C(=O)N2c3ccccc3[C@@]3(O)C[C@H]4C(=O)N[C@@H](c5nc6ccccc6c(=O)n54)N1[C@@H]23
InChIInChI=1S/C23H19N5O4/c1-11-20(30)28-15-9-5-3-7-13(15)23(32)10-16-19(29)25-18(26(11)22(23)28)17-24-14-8-4-2-6-12(14)21(31)27(16)17/h2-9,11,16,18,22,32H,10H2,1H3,(H,25,29)/t11-,16-,18+,22-,23-/m0/s1
InChIKeyMLDFAXSXLVAFNZ-YYZDDONLSA-N
Species of MetaboliteComponentSourceComments
Aspergillus fischeri NRRL 181 (ncbitaxon:331117) - DOI (10.1002/hlca.201400270)
ChEBI Ontology
Outgoing Relation(s)
Cottoquinazoline E (CHEBI:226741) is a quinazolines (CHEBI:38530)
IUPAC Name 
(1R,3S,12S,14S,27S)-12-hydroxy-3-methyl-2,5,15,23,25-pentazaheptacyclo[12.10.2.12,5.06,11.015,24.017,22.012,27]heptacosa-6,8,10,17,19,21,23-heptaene-4,16,26-trione
Manual XrefsDatabases
78441240ChemSpider