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CHEBI:223054 - 4-dehydro-4a-dechloronapyradiomycin A1

ChEBI IDCHEBI:223054
ChEBI Name4-dehydro-4a-dechloronapyradiomycin A1
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H29ClO5
Net Charge0
Average Mass444.955
Monoisotopic Mass444.17035
SMILESCC(C)=CCCC(C)=CC[C@@]12OC(C)(C)[C@H](Cl)C=C1C(=O)c1c(O)cc(O)cc1C2=O
InChIInChI=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
InChIKeyKHMPPAOMVRXPHR-CJFMBICVSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies SCSIO 10428 (ncbitaxon:1379024) - PubMed (23771045)
ChEBI Ontology
Outgoing Relation(s)
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 XrefsDatabases
78438257ChemSpider