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CHEBI:200565 - Meleagrin E

ChEBI IDCHEBI:200565
ChEBI NameMeleagrin E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H39N5O6
Net Charge0
Average Mass589.693
Monoisotopic Mass589.29003
SMILESC=CC(C)(C)[C@@]12C=C(O)C(=O)N3/C(=C/c4cn(C(C)(C)CC(=O)CC(C)(C)O)cn4)C(=O)N[C@]31N(OC)c1ccccc12
InChIInChI=1S/C32H39N5O6/c1-9-28(2,3)31-17-25(39)27(41)36-24(26(40)34-32(31,36)37(43-8)23-13-11-10-12-22(23)31)14-20-18-35(19-33-20)29(4,5)15-21(38)16-30(6,7)42/h9-14,17-19,39,42H,1,15-16H2,2-8H3,(H,34,40)/b24-14+/t31-,32-/m0/s1
InChIKeyQDJVQRTZVLGFMT-WQNPRKMXSA-N
Species of MetaboliteComponentSourceComments
Penicilliumspecies F23-2 (ncbitaxon:543960) - PubMed (20186171)
ChEBI Ontology
Outgoing Relation(s)
Meleagrin E (CHEBI:200565) is a pyridoindole (CHEBI:48888)
IUPAC Name 
(1S,9R,14E)-11-hydroxy-14-[[1-(6-hydroxy-2,6-dimethyl-4-oxoheptan-2-yl)imidazol-4-yl]methylidene]-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
27024818ChemSpider