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CHEBI:206588 - Citrinadin B

ChEBI IDCHEBI:206588
ChEBI NameCitrinadin B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC28H39N3O4
Net Charge0
Average Mass481.637
Monoisotopic Mass481.29406
SMILESCN[C@@]12CN3[C@@H](CCC[C@H]3C)C[C@@]1(O)C(C)(C)[C@@]1(C2)C(=O)Nc2c(C(=O)[C@H]3OC3(C)C)cccc21
InChIInChI=1S/C28H39N3O4/c1-16-9-7-10-17-13-28(34)25(4,5)27(14-26(28,29-6)15-31(16)17)19-12-8-11-18(20(19)30-23(27)33)21(32)22-24(2,3)35-22/h8,11-12,16-17,22,29,34H,7,9-10,13-15H2,1-6H3,(H,30,33)/t16-,17+,22-,26+,27-,28-/m1/s1
InChIKeyFMXABKNHBZJYPO-AMZVHIOHSA-N
Species of MetaboliteComponentSourceComments
Penicillium citrinum (ncbitaxon:5077) - PubMed (16268618)
ChEBI Ontology
Outgoing Relation(s)
Citrinadin B (CHEBI:206588) has functional parent δ-amino acid (CHEBI:35931)
Citrinadin B (CHEBI:206588) is a organonitrogen compound (CHEBI:35352)
Citrinadin B (CHEBI:206588) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(3S,3'aS,6'R,9'aS,10'aR)-7-[(2S)-3,3-dimethyloxirane-2-carbonyl]-10'a-hydroxy-1',1',6'-trimethyl-3'a-(methylamino)spiro[1H-indole-3,2'-3,4,6,7,8,9,9a,10-octahydrocyclopenta[b]quinolizine]-2-one
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9816279ChemSpider