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CHEBI:222893 - Napyradiomycin CNQ525.600

ChEBI IDCHEBI:222893
ChEBI NameNapyradiomycin CNQ525.600
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SubmitterMetaboLights
DownloadsMolfile
FormulaC26H34Br2O6
Net Charge0
Average Mass602.360
Monoisotopic Mass600.07221
SMILESCc1c(O)cc2c(c1O)C(=O)[C@H]1C[C@@H](Br)C(C)(C)O[C@@]1(C[C@H]1C(C)(C)[C@@H](Br)CC[C@]1(C)O)C2=O
InChIInChI=1S/C26H34Br2O6/c1-12-15(29)9-13-19(20(12)30)21(31)14-10-18(28)24(4,5)34-26(14,22(13)32)11-16-23(2,3)17(27)7-8-25(16,6)33/h9,14,16-18,29-30,33H,7-8,10-11H2,1-6H3/t14-,16+,17+,18-,25+,26-/m1/s1
InChIKeyGQSXTXLHELBDSQ-CJWPEDLKSA-N
Species of MetaboliteComponentSourceComments
Actinomycesspecies (ncbitaxon:29317) - PubMed (24328269)
ChEBI Ontology
Outgoing Relation(s)
Napyradiomycin CNQ525.600 (CHEBI:222893) is a organic heterotricyclic compound (CHEBI:26979)
Napyradiomycin CNQ525.600 (CHEBI:222893) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(3R,4aS,10aR)-3-bromo-10a-[[(1S,3S,6S)-3-bromo-6-hydroxy-2,2,6-trimethylcyclohexyl]methyl]-6,8-dihydroxy-2,2,7-trimethyl-4,4a-dihydro-3H-benzo[g]chromene-5,10-dione
Manual XrefsDatabases
31128261ChemSpider