CHEBI:197848 - Coeligiosin A

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Coeligiosin A
ChEBI ID CHEBI:197848
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C40H60N4O
Net Charge 0
Average Mass 612.947
Monoisotopic Mass 612.47671
InChI InChI=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
InChIKey NOCVMSYGCYUEIV-UHFFFAOYSA-N
SMILES O(C1=C(NC(=C1)C=2NC=CC2)C(=C3N=C(CCCCCCCCCCC)C=C3)C=4NC(CCCCCCCCCCC)=CC4)C
Metabolite of Species Details
Streptomyces (NCBI:txid1883) See: PubMed
ChEBI Ontology
Outgoing 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 Xref Database
78434604 ChemSpider
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