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CHEBI:198006 - Penioxalamine A

ChEBI IDCHEBI:198006
ChEBI NamePenioxalamine A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H33N3O3
Net Charge0
Average Mass447.579
Monoisotopic Mass447.25219
SMILESCC1(C)[C@H]2C[C@]34CCCCN3C[C@@]2(C[C@]12C(=O)N1C[C@@]3(C)O[C@H]3Cc3cccc2c31)NC4=O
InChIInChI=1S/C27H33N3O3/c1-23(2)18-12-26-9-4-5-10-29(26)15-25(18,28-21(26)31)13-27(23)17-8-6-7-16-11-19-24(3,33-19)14-30(20(16)17)22(27)32/h6-8,18-19H,4-5,9-15H2,1-3H3,(H,28,31)/t18-,19+,24-,25-,26+,27+/m1/s1
InChIKeyFTFKTVQLSBXHIB-FSOKMBQWSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - DOI (10.1016/j.tetlet.2014.05.104)
ChEBI Ontology
Outgoing Relation(s)
Penioxalamine A (CHEBI:198006) is a amino acid amide (CHEBI:22475)
IUPAC Name 
(1'S,3S,8'S,10S,10'R,12R)-11',11',12-trimethylspiro[11-oxa-1-azatetracyclo[6.5.1.04,14.010,12]tetradeca-4,6,8(14)-triene-3,12'-3,14-diazatetracyclo[6.5.2.01,10.03,8]pentadecane]-2,15'-dione
Manual XrefsDatabases
34485437ChemSpider