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CHEBI:189253 - 3-dechloro-3-brominapyradiomycin A1

ChEBI IDCHEBI:189253
ChEBI Name3-dechloro-3-brominapyradiomycin A1
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H30BrClO5
Net Charge0
Average Mass525.867
Monoisotopic Mass524.09651
SMILESCC(C)=CCCC(C)=CC[C@@]12OC(C)(C)[C@H](Br)C[C@]1(Cl)C(=O)c1c(O)cc(O)cc1C2=O
InChIInChI=1S/C25H30BrClO5/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/t19-,24+,25+/m1/s1
InChIKeyRETCPPWIOCMJEO-NGXZDTIWSA-N
Species of MetaboliteComponentSourceComments
Arabidopsis thaliana (ncbitaxon:3702) leaf (BTO:0000713) MetaboLights (MTBLS3997)
ChEBI Ontology
Outgoing Relation(s)
3-dechloro-3-brominapyradiomycin A1 (CHEBI:189253) is a menaquinones (CHEBI:25185)
IUPAC Name 
(3R,4aR,10aS)-3-bromo-4a-chloro-10a-(3,7-dimethylocta-2,6-dienyl)-6,8-dihydroxy-2,2-dimethyl-3,4-dihydrobenzo[g]chromene-5,10-dione
Manual XrefsDatabases
78436942ChemSpider