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CHEBI:206711 - Penispirolloid A

ChEBI IDCHEBI:206711
ChEBI NamePenispirolloid A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H21N5O2
Net Charge0
Average Mass375.432
Monoisotopic Mass375.16952
SMILESCC(C)=CC[C@@H]1C(=O)N2c3ccccc3[C@H]1C21NC(=O)/C(=C\c2cncn2)N1
InChIInChI=1S/C21H21N5O2/c1-12(2)7-8-15-18-14-5-3-4-6-17(14)26(20(15)28)21(18)24-16(19(27)25-21)9-13-10-22-11-23-13/h3-7,9-11,15,18,24H,8H2,1-2H3,(H,22,23)(H,25,27)/b16-9+/t15-,18+,21?/m0/s1
InChIKeyGZLJILCJSJSFSB-KTSIRHRMSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - DOI (10.1016/j.tetlet.2012.02.063)
ChEBI Ontology
Outgoing Relation(s)
Penispirolloid A (CHEBI:206711) is a quinolines (CHEBI:26513)
IUPAC Name 
(5'E,8S,9S)-5'-(1H-imidazol-5-ylmethylidene)-9-(3-methylbut-2-enyl)spiro[1-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene-11,2'-imidazolidine]-4',10-dione
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78441460ChemSpider