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CHEBI:188853 - citrinadin A

ChEBI IDCHEBI:188853
ChEBI Namecitrinadin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H52N4O6
Net Charge0
Average Mass624.823
Monoisotopic Mass624.38869
SMILES[H][C@]12C[C@H](OC(=O)[C@H](C(C)C)N(C)C)C[C@H](C)N1C[C@]1(NC)C[C@]3(C(=O)Nc4c(C(=O)C5OC5(C)C)cccc43)C(C)(C)[C@@]1(O)C2
InChIInChI=1S/C35H52N4O6/c1-19(2)26(38(9)10)29(41)44-22-14-20(3)39-18-33(36-8)17-34(32(6,7)35(33,43)16-21(39)15-22)24-13-11-12-23(25(24)37-30(34)42)27(40)28-31(4,5)45-28/h11-13,19-22,26,28,36,43H,14-18H2,1-10H3,(H,37,42)/t20-,21+,22+,26-,28?,33+,34-,35-/m0/s1
InChIKeyBERMVHWKOOMCMF-CMDYZYQTSA-N
Species of MetaboliteComponentSourceComments
Phyllostachys violascens (ncbitaxon:1903417) stem (BTO:0001300) MetaboLights (MTBLS3970) Strain: Phyllostachys violascens cv. Viridisulcata
ChEBI Ontology
Outgoing Relation(s)
citrinadin A (CHEBI:188853) has functional parent δ-amino acid (CHEBI:35931)
citrinadin A (CHEBI:188853) is a organonitrogen compound (CHEBI:35352)
citrinadin A (CHEBI:188853) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
[(3R,3'aR,6'S,8'R,9'aR,10'aS)-7-(3,3-dimethyloxirane-2-carbonyl)-10'a-hydroxy-1',1',6'-trimethyl-3'a-(methylamino)-2-oxospiro[1H-indole-3,2'-3,4,6,7,8,9,9a,10-octahydrocyclopenta[b]quinolizine]-8'-yl] (2S)-2-(dimethylamino)-3-methylbutanoate
Manual XrefsDatabases
9665344ChemSpider