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CHEBI:188521 - Napyradiomycin A1

ChEBI IDCHEBI:188521
ChEBI NameNapyradiomycin A1
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H30Cl2O5
Net Charge0
Average Mass481.416
Monoisotopic Mass480.14703
SMILESCC(C)=CCC/C(C)=C/C[C@@]12OC(C)(C)[C@H](Cl)C[C@]1(Cl)C(=O)c1c(O)cc(O)cc1C2=O
InChIInChI=1S/C25H30Cl2O5/c1-14(2)7-6-8-15(3)9-10-25-21(30)17-11-16(28)12-18(29)20(17)22(31)24(25,27)13-19(26)23(4,5)32-25/h7,9,11-12,19,28-29H,6,8,10,13H2,1-5H3/b15-9+/t19-,24+,25+/m1/s1
InChIKeyBCPWMPCOEAOEDD-NQSCOFRMSA-N
Species of MetaboliteComponentSourceComments
Phyllostachys violascens (ncbitaxon:1903417) stem (BTO:0001300) MetaboLights (MTBLS3970) Strain: Phyllostachys violascens cv. Viridisulcata
ChEBI Ontology
Outgoing Relation(s)
Napyradiomycin A1 (CHEBI:188521) is a menaquinones (CHEBI:25185)
IUPAC Name 
(3R,4aR,10aS)-3,4a-dichloro-10a-[(2E)-3,7-dimethylocta-2,6-dienyl]-6,8-dihydroxy-2,2-dimethyl-3,4-dihydrobenzo[g]chromene-5,10-dione
Manual XrefsDatabases
4943391ChemSpider
Registry NumbersSources
CAS:103106-24-7ChemIDplus