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CHEBI:210014 - Meleagrin C

ChEBI IDCHEBI:210014
ChEBI NameMeleagrin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H33N5O5
Net Charge0
Average Mass531.613
Monoisotopic Mass531.24817
SMILESC=CC(C)(C)[C@@]12C=C(O)C(=O)N3/C(=C/c4cn(C(C)(C)CC(C)=O)cn4)C(=O)N[C@]31N(OC)c1ccccc12
InChIInChI=1S/C29H33N5O5/c1-8-26(3,4)28-15-23(36)25(38)33-22(13-19-16-32(17-30-19)27(5,6)14-18(2)35)24(37)31-29(28,33)34(39-7)21-12-10-9-11-20(21)28/h8-13,15-17,36H,1,14H2,2-7H3,(H,31,37)/b22-13+/t28-,29-/m0/s1
InChIKeyRERFLELAPOSSEV-GUKFKHCKSA-N
Species of MetaboliteComponentSourceComments
Penicilliumspecies (ncbitaxon:5081) - DOI (10.1016/j.tet.2008.11.078)
ChEBI Ontology
Outgoing Relation(s)
Meleagrin C (CHEBI:210014) is a pyridoindole (CHEBI:48888)
IUPAC Name 
(1S,9R,14E)-11-hydroxy-2-methoxy-9-(2-methylbut-3-en-2-yl)-14-[[1-(2-methyl-4-oxopentan-2-yl)imidazol-4-yl]methylidene]-2,13,16-triazatetracyclo[7.7.0.01,13.03,8]hexadeca-3,5,7,10-tetraene-12,15-dione
Manual XrefsDatabases
27024825ChemSpider