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CHEBI:206769 - Clopiamine C

ChEBI IDCHEBI:206769
ChEBI NameClopiamine C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC26H33N3O5
Net Charge0
Average Mass467.566
Monoisotopic Mass467.24202
SMILESCOc1ccc2c3c1C(=O)CC(C)(C)N3C(=O)[C@]21C[C@]2([N+](=O)[O-])CN3CCC[C@H]3C[C@@H]2C1(C)C
InChIInChI=1S/C26H33N3O5/c1-23(2)12-17(30)20-18(34-5)9-8-16-21(20)28(23)22(31)26(16)13-25(29(32)33)14-27-10-6-7-15(27)11-19(25)24(26,3)4/h8-9,15,19H,6-7,10-14H2,1-5H3/t15-,19+,25-,26-/m0/s1
InChIKeyLUESCPPTDJZZQN-GYVBHNQKSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (28117586)
ChEBI Ontology
Outgoing Relation(s)
Clopiamine C (CHEBI:206769) is a quinolines (CHEBI:26513)
IUPAC Name 
(5aR,7S,8aR,9aS)-7'-methoxy-8,8,11',11'-tetramethyl-5a-nitrospiro[1,2,3,5,6,8a,9,9a-octahydrocyclopenta[]indolizine-7,3'-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-triene]-2',9'-dione
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76802190ChemSpider