CHEBI:223054 - 4-dehydro-4a-dechloronapyradiomycin 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 4-dehydro-4a-dechloronapyradiomycin A1
ChEBI ID CHEBI:223054
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C25H29ClO5
Net Charge 0
Average Mass 444.950
Monoisotopic Mass 444.17035
InChI InChI=1S/C25H29ClO5/c1-14(2)7-6-8-15(3)9-10-25-18(13-20(26)24(4,5)31-25)22(29)21-17(23(25)30)11-16(27)12-19(21)28/h7,9,11-13,20,27-28H,6,8,10H2,1-5H3/t20-,25-/m1/s1
InChIKey KHMPPAOMVRXPHR-CJFMBICVSA-N
SMILES Cl[C@@H]1C=C2C(=O)C3=C(O)C=C(O)C=C3C([C@]2(CC=C(CCC=C(C)C)C)OC1(C)C)=O
Metabolite of Species Details
Streptomycesspecies SCSIO 10428 (NCBI:txid1379024) See: PubMed
ChEBI Ontology
Outgoing 4-dehydro-4a-dechloronapyradiomycin A1 (CHEBI:223054) is a menaquinones (CHEBI:25185)
IUPAC Name
(3R,10aR)-3-chloro-10a-(3,7-dimethylocta-2,6-dienyl)-6,8-dihydroxy-2,2-dimethyl-3H-benzo[g]chromene-5,10-dione
Manual Xref Database
78438257 ChemSpider
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