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CHEBI:206262 - Ent-homocyclopiamine B

ChEBI IDCHEBI:206262
ChEBI NameEnt-homocyclopiamine B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H35N3O5
Net Charge0
Average Mass481.593
Monoisotopic Mass481.25767
SMILESCOc1ccc2c3c1C(=O)CC(C)(C)N3C(=O)[C@]21C[C@]2([N+](=O)[O-])CN3CCCC[C@H]3C[C@@H]2C1(C)C
InChIInChI=1S/C27H35N3O5/c1-24(2)13-18(31)21-19(35-5)10-9-17-22(21)29(24)23(32)27(17)14-26(30(33)34)15-28-11-7-6-8-16(28)12-20(26)25(27,3)4/h9-10,16,20H,6-8,11-15H2,1-5H3/t16-,20+,26-,27-/m0/s1
InChIKeyRFULODNZOBWCJP-ZXNGJIJRSA-N
Species of MetaboliteComponentSourceComments
Penicillium concentricum (ncbitaxon:293559) - PubMed (30634398)
ChEBI Ontology
Outgoing Relation(s)
Ent-homocyclopiamine B (CHEBI:206262) is a quinolines (CHEBI:26513)
IUPAC Name 
(3S,3'aR,9'aS,10'aR)-7-methoxy-1',1',11,11-tetramethyl-3'a-nitrospiro[1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-triene-3,2'-4,6,7,8,9,9a,10,10a-octahydro-3H-cyclopenta[b]quinolizine]-2,9-dione