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CHEBI:225107 - Napyradiomycin A

ChEBI IDCHEBI:225107
ChEBI NameNapyradiomycin A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC24H25ClO6
Net Charge0
Average Mass444.911
Monoisotopic Mass444.13397
SMILESC/C1=C/C[C@@]23OC(C)(C)[C@H](Cl)C=C2C(=O)c2c(cc(O)c(c2O)C/C(CO)=C\C1)C3=O
InChIInChI=1S/C24H25ClO6/c1-12-4-5-13(11-26)8-14-17(27)9-15-19(20(14)28)21(29)16-10-18(25)23(2,3)31-24(16,7-6-12)22(15)30/h5-6,9-10,18,26-28H,4,7-8,11H2,1-3H3/b12-6-,13-5+/t18-,24-/m1/s1
InChIKeyVTQAZVUVKZOQRT-CIYAXCQISA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies (ncbitaxon:1931) - PubMed (24376369)
ChEBI Ontology
Outgoing Relation(s)
Napyradiomycin A (CHEBI:225107) is a organic heterotricyclic compound (CHEBI:26979)
Napyradiomycin A (CHEBI:225107) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(1R,3E,6E,17R)-17-chloro-10,21-dihydroxy-7-(hydroxymethyl)-4,18,18-trimethyl-19-oxatetracyclo[10.7.1.19,13.01,15]henicosa-3,6,9,11,13(21),15-hexaene-14,20-dione
Manual XrefsDatabases
78438303ChemSpider