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CHEBI:209531 - Napyradiomycin B7a

ChEBI IDCHEBI:209531
ChEBI NameNapyradiomycin B7a
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SubmitterMetaboLights
DownloadsMolfile
FormulaC25H30Cl2O6
Net Charge0
Average Mass497.415
Monoisotopic Mass496.14194
SMILESCC1(C)O[C@@]2(C[C@H]3C(C)(C)[C@@H](Cl)CC[C@]3(C)O)C(=O)c3cc(O)cc(O)c3C(=O)C2=C[C@H]1Cl
InChIInChI=1S/C25H30Cl2O6/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/h8-10,16-18,28-29,32H,6-7,11H2,1-5H3/t16-,17-,18+,24-,25+/m0/s1
InChIKeyZXDBLETYGYFMFF-HSRATRFUSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (31888028)
ChEBI Ontology
Outgoing Relation(s)
Napyradiomycin B7a (CHEBI:209531) is a organic heterotricyclic compound (CHEBI:26979)
Napyradiomycin B7a (CHEBI:209531) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(3R,10aR)-3-chloro-10a-[[(1S,3S,6S)-3-chloro-6-hydroxy-2,2,6-trimethylcyclohexyl]methyl]-6,8-dihydroxy-2,2-dimethyl-3H-benzo[g]chromene-5,10-dione
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81367009ChemSpider