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CHEBI:212623 - Napyradiomycin B1

ChEBI IDCHEBI:212623
ChEBI NameNapyradiomycin B1
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SubmitterMetaboLights
DownloadsMolfile
FormulaC26H31Cl3O5
Net Charge0
Average Mass529.888
Monoisotopic Mass528.12371
SMILESC=C1CC[C@H](Cl)C(C)(C)[C@@H]1C[C@@]12OC(C)(C)[C@H](Cl)C[C@]1(Cl)C(=O)c1c(cc(O)c(C)c1O)C2=O
InChIInChI=1S/C26H31Cl3O5/c1-12-7-8-17(27)23(3,4)15(12)10-26-21(32)14-9-16(30)13(2)20(31)19(14)22(33)25(26,29)11-18(28)24(5,6)34-26/h9,15,17-18,30-31H,1,7-8,10-11H2,2-6H3/t15-,17+,18-,25+,26+/m1/s1
InChIKeyJCIYFFNGTHMEDE-QBNJFISTSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (3710909)
ChEBI Ontology
Outgoing Relation(s)
Napyradiomycin B1 (CHEBI:212623) is a organic heterotricyclic compound (CHEBI:26979)
Napyradiomycin B1 (CHEBI:212623) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(3R,4aR,10aS)-3,4a-dichloro-10a-[[(1R,3S)-3-chloro-2,2-dimethyl-6-methylidenecyclohexyl]methyl]-6,8-dihydroxy-2,2,7-trimethyl-3,4-dihydrobenzo[g]chromene-5,10-dione
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24717124ChemSpider