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CHEBI:222886 - Napyradiomycin CNQ525.554

ChEBI IDCHEBI:222886
ChEBI NameNapyradiomycin CNQ525.554
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SubmitterMetaboLights
DownloadsMolfile
FormulaC26H32BrClO6
Net Charge0
Average Mass555.893
Monoisotopic Mass554.10708
SMILESCc1c(O)cc2c(c1O)C(=O)[C@@]1(Cl)C[C@@H](Br)C(C)(C)O[C@@]1(C[C@H]1C(C)(C)[C@H]3CC[C@]1(C)O3)C2=O
InChIInChI=1S/C26H32BrClO6/c1-12-14(29)9-13-18(19(12)30)21(32)25(28)11-16(27)23(4,5)34-26(25,20(13)31)10-15-22(2,3)17-7-8-24(15,6)33-17/h9,15-17,29-30H,7-8,10-11H2,1-6H3/t15-,16+,17+,24-,25-,26-/m0/s1
InChIKeyUGEWFNIBLSXHJU-VCQHOALXSA-N
Species of MetaboliteComponentSourceComments
Actinomycesspecies (ncbitaxon:29317) - PubMed (24328269)
ChEBI Ontology
Outgoing Relation(s)
Napyradiomycin CNQ525.554 (CHEBI:222886) is a organic heterotricyclic compound (CHEBI:26979)
Napyradiomycin CNQ525.554 (CHEBI:222886) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(3R,4aR,10aS)-3-bromo-4a-chloro-6,8-dihydroxy-2,2,7-trimethyl-10a-[[(1S,2S,4R)-1,3,3-trimethyl-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]-3,4-dihydrobenzo[g]chromene-5,10-dione
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31128260ChemSpider