CHEBI:199732 - quinocinnolinomycin C

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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 quinocinnolinomycin C
ChEBI ID CHEBI:199732
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C24H35N3O3
Net Charge 0
Average Mass 413.562
Monoisotopic Mass 413.26784
InChI InChI=1S/C24H35N3O3/c1-4-17(2)11-9-7-5-6-8-10-12-19(28)14-13-18-15-20-22(29)16-21(25-3)24(30)23(20)27-26-18/h13-17,19,25,28H,4-12H2,1-3H3/t17?,19-/m1/s1
InChIKey WTRVVOIWIXMDPH-WHCXFUJUSA-N
SMILES O=C1C2=NN=C(C=C[C@H](O)CCCCCCCCC(CC)C)C=C2C(=O)C=C1NC
ChEBI Ontology
Outgoing quinocinnolinomycin C (CHEBI:199732) is a aromatic ketone (CHEBI:76224)
IUPAC Name
3-[(3R)-3-hydroxy-12-methyltetradec-1-enyl]-7-(methylamino)cinnoline-5,8-dione