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CHEBI:217054 - Deoxycitrinadin B

ChEBI IDCHEBI:217054
ChEBI NameDeoxycitrinadin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H39N3O3
Net Charge0
Average Mass465.638
Monoisotopic Mass465.29914
SMILESCN[C@]12CN3[C@H](CCC[C@@H]3C)C[C@@H]1C(C)(C)[C@]1(C2)C(=O)Nc2c(C(=O)[C@H]3OC3(C)C)cccc21
InChIInChI=1S/C28H39N3O3/c1-16-9-7-10-17-13-20-25(2,3)28(14-27(20,29-6)15-31(16)17)19-12-8-11-18(21(19)30-24(28)33)22(32)23-26(4,5)34-23/h8,11-12,16-17,20,23,29H,7,9-10,13-15H2,1-6H3,(H,30,33)/t16-,17+,20+,23+,27+,28-/m0/s1
InChIKeyJOCIDHKWKYUOII-ILSSLKRCSA-N
Species of MetaboliteComponentSourceComments
Pseudoalteromonasspecies OT59 (ncbitaxon:1460272) - PubMed (25058318)
ChEBI Ontology
Outgoing Relation(s)
Deoxycitrinadin B (CHEBI:217054) has functional parent δ-amino acid (CHEBI:35931)
Deoxycitrinadin B (CHEBI:217054) is a organonitrogen compound (CHEBI:35352)
Deoxycitrinadin B (CHEBI:217054) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(3S,3'aS,6'S,9'aR,10'aR)-7-[(2S)-3,3-dimethyloxirane-2-carbonyl]-1',1',6'-trimethyl-3'a-(methylamino)spiro[1H-indole-3,2'-4,6,7,8,9,9a,10,10a-octahydro-3H-cyclopenta[b]quinolizine]-2-one
Manual XrefsDatabases
78440269ChemSpider