CHEBI:206947 - Napyradiomycin F

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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 Napyradiomycin F
ChEBI ID CHEBI:206947
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C25H32Cl2O6
Net Charge 0
Average Mass 499.430
Monoisotopic Mass 498.15759
InChI InChI=1S/C25H32Cl2O6/c1-22(2)16(24(5,32)7-6-17(22)26)11-25-14(10-18(27)23(3,4)33-25)20(30)19-13(21(25)31)8-12(28)9-15(19)29/h8-9,14,16-18,28-29,32H,6-7,10-11H2,1-5H3/t14-,16+,17+,18-,24+,25-/m1/s1
InChIKey LUTUDNBLGPLGEH-KJDAXURYSA-N
SMILES Cl[C@H]1C(O[C@]2(C(=O)C=3C=C(O)C=C(C3C([C@H]2C1)=O)O)C[C@@H]4[C@@](O)(CC[C@@H](C4(C)C)Cl)C)(C)C
Metabolite of Species Details
Streptomycesspecies (NCBI:txid1931) See: PubMed
ChEBI Ontology
Outgoing Napyradiomycin F (CHEBI:206947) is a organic heterotricyclic compound (CHEBI:26979)
Napyradiomycin F (CHEBI:206947) is a organooxygen compound (CHEBI:36963)
IUPAC Name
(3R,4aS,10aR)-3-chloro-10a-[[(1S,3S,6S)-3-chloro-6-hydroxy-2,2,6-trimethylcyclohexyl]methyl]-6,8-dihydroxy-2,2-dimethyl-4,4a-dihydro-3H-benzo[g]chromene-5,10-dione
Manual Xref Database
30770875 ChemSpider
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