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CHEBI:197848 - Coeligiosin A

ChEBI IDCHEBI:197848
ChEBI NameCoeligiosin A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC40H60N4O
Net Charge0
Average Mass612.947
Monoisotopic Mass612.47671
SMILESCCCCCCCCCCCC1=NC(=C(c2ccc(CCCCCCCCCCC)n2)c2nc(-c3cccn3)cc2OC)C=C1
InChIInChI=1S/C40H60N4O/c1-4-6-8-10-12-14-16-18-20-23-32-26-28-35(42-32)39(40-38(45-3)31-37(44-40)34-25-22-30-41-34)36-29-27-33(43-36)24-21-19-17-15-13-11-9-7-5-2/h22,25-31,41-42,44H,4-21,23-24H2,1-3H3
InChIKeyNOCVMSYGCYUEIV-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (25760402)
ChEBI Ontology
Outgoing Relation(s)
Coeligiosin A (CHEBI:197848) is a aromatic ether (CHEBI:35618)
IUPAC Name 
3-methoxy-5-(1H-pyrrol-2-yl)-2-[(5-undecyl-1H-pyrrol-2-yl)-(5-undecylpyrrol-2-ylidene)methyl]-1H-pyrrole
Manual XrefsDatabases
78434604ChemSpider