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CHEBI:203967 - Meleagrin D

ChEBI IDCHEBI:203967
ChEBI NameMeleagrin D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H37N5O5
Net Charge0
Average Mass571.678
Monoisotopic Mass571.27947
SMILESC=CC(C)(C)[C@@]12C=C(O)C(=O)N3/C(=C/c4cn(C(C)(C)CC(=O)C=C(C)C)cn4)C(=O)N[C@]31N(OC)c1ccccc12
InChIInChI=1S/C32H37N5O5/c1-9-29(4,5)31-17-26(39)28(41)36-25(15-21-18-35(19-33-21)30(6,7)16-22(38)14-20(2)3)27(40)34-32(31,36)37(42-8)24-13-11-10-12-23(24)31/h9-15,17-19,39H,1,16H2,2-8H3,(H,34,40)/b25-15+/t31-,32-/m0/s1
InChIKeyOSMNYWMZYNIGNR-ROMHKSJMSA-N
Species of MetaboliteComponentSourceComments
Penicilliumspecies F23-2 (ncbitaxon:543960) - PubMed (20186171)
ChEBI Ontology
Outgoing Relation(s)
Meleagrin D (CHEBI:203967) is a pyridoindole (CHEBI:48888)
IUPAC Name 
(1S,9R,14E)-14-[[1-(2,6-dimethyl-4-oxohept-5-en-2-yl)imidazol-4-yl]methylidene]-11-hydroxy-2-methoxy-9-(2-methylbut-3-en-2-yl)-2,13,16-triazatetracyclo[7.7.0.01,13.03,8]hexadeca-3,5,7,10-tetraene-12,15-dione
Manual XrefsDatabases
27024817ChemSpider