CHEBI:204568 - Coeligiosin B

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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 B
ChEBI ID CHEBI:204568
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C40H58N4O
Net Charge 0
Average Mass 610.931
Monoisotopic Mass 610.46106
InChI InChI=1S/C40H58N4O/c1-4-6-8-9-10-11-12-13-17-22-31-25-26-35(42-31)38(40-37(45-3)29-36(44-40)34-24-19-27-41-34)39-33-28-32(43-39)23-18-15-14-16-21-30(33)20-7-5-2/h19,24-30,41,43-44H,4-18,20-23H2,1-3H3/t30-/m0/s1
InChIKey OOHPMURDIUCNIG-PMERELPUSA-N
SMILES O(C1=C(NC(=C1)C=2NC=CC2)C(C=3NC=4CCCCCC[C@@H](C3C4)CCCC)=C5N=C(CCCCCCCCCCC)C=C5)C
Metabolite of Species Details
Streptomyces (NCBI:txid1883) See: PubMed
ChEBI Ontology
Outgoing Coeligiosin B (CHEBI:204568) is a aromatic ether (CHEBI:35618)