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CHEBI:199149 - Napyradiomycin 3

ChEBI IDCHEBI:199149
ChEBI NameNapyradiomycin 3
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SubmitterMetaboLights
DownloadsMolfile
FormulaC25H27ClO6
Net Charge0
Average Mass458.938
Monoisotopic Mass458.14962
SMILESC=C1Cc2c(O)cc3c(c2O)C(=O)C2=C[C@@H](Cl)C(C)(C)O[C@@]2(C/C=C(/C)CC[C@H]1O)C3=O
InChIInChI=1S/C25H27ClO6/c1-12-5-6-17(27)13(2)9-14-18(28)10-15-20(21(14)29)22(30)16-11-19(26)24(3,4)32-25(16,8-7-12)23(15)31/h7,10-11,17,19,27-29H,2,5-6,8-9H2,1,3-4H3/b12-7-/t17-,19-,25-/m1/s1
InChIKeyQNUSKIGTELENRX-WHPLOJHPSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (24376369)
ChEBI Ontology
Outgoing Relation(s)
Napyradiomycin 3 (CHEBI:199149) is a organic heterotricyclic compound (CHEBI:26979)
Napyradiomycin 3 (CHEBI:199149) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(1R,3Z,7R,18R)-18-chloro-7,11,22-trihydroxy-4,19,19-trimethyl-8-methylidene-20-oxatetracyclo[11.7.1.110,14.01,16]docosa-3,10,12,14(22),16-pentaene-15,21-dione
Manual XrefsDatabases
78436463ChemSpider