CHEBI:216766 - 18-oxonapyradiomycin A1

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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 18-oxonapyradiomycin A1
ChEBI ID CHEBI:216766
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C25H28Cl2O6
Net Charge 0
Average Mass 495.390
Monoisotopic Mass 494.12629
InChI InChI=1S/C25H28Cl2O6/c1-14(6-5-7-15(2)13-28)8-9-25-21(31)17-10-16(29)11-18(30)20(17)22(32)24(25,27)12-19(26)23(3,4)33-25/h7-8,10-11,13,19,29-30H,5-6,9,12H2,1-4H3/t19-,24+,25+/m1/s1
InChIKey FPOOHFGLFKYUON-NGXZDTIWSA-N
SMILES Cl[C@@]12C(=O)C3=C(O)C=C(O)C=C3C([C@@]1(OC(C)(C)[C@@H](C2)Cl)CC=C(CCC=C(C=O)C)C)=O
Metabolite of Species Details
Streptomyces (NCBI:txid1883) See: PubMed
ChEBI Ontology
Outgoing 18-oxonapyradiomycin A1 (CHEBI:216766) is a menaquinones (CHEBI:25185)
IUPAC Name
8-[(3R,4aR,10aS)-3,4a-dichloro-6,8-dihydroxy-2,2-dimethyl-5,10-dioxo-3,4-dihydrobenzo[g]chromen-10a-yl]-2,6-dimethylocta-2,6-dienal