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CHEBI:197604 - Communesin E

ChEBI IDCHEBI:197604
ChEBI NameCommunesin E
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SubmitterMetaboLights
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FormulaC28H32N4O
Net Charge0
Average Mass440.591
Monoisotopic Mass440.25761
SMILESCC(=O)N1CC[C@]23c4ccccc4N[C@H]4N(C)c5cccc6c5[C@]42CCN([C@H]6C=C(C)C)[C@H]13
InChIInChI=1S/C28H32N4O/c1-17(2)16-23-19-8-7-11-22-24(19)28-13-15-32(23)26-27(28,12-14-31(26)18(3)33)20-9-5-6-10-21(20)29-25(28)30(22)4/h5-11,16,23,25-26,29H,12-15H2,1-4H3/t23-,25-,26-,27+,28+/m0/s1
InChIKeyAJKLOOXVDIANRY-GRPMBEMWSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (15056914)
ChEBI Ontology
Outgoing Relation(s)
Communesin E (CHEBI:197604) is a pyridoindole (CHEBI:48888)
IUPAC Name 
1-[(2R,6S,14S,22S,25S)-15-methyl-25-(2-methylprop-1-enyl)-1,3,13,15-tetrazaheptacyclo[18.4.1.02,6.06,22.07,12.014,22.016,21]pentacosa-7,9,11,16,18,20-hexaen-3-yl]ethanone
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78436239ChemSpider