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CHEBI:226195 - 1-deoxyrubralactone

ChEBI IDCHEBI:226195
ChEBI Name1-deoxyrubralactone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H12O5
Net Charge0
Average Mass260.245
Monoisotopic Mass260.06847
SMILESCOc1cc(O)c2c(=O)oc3c(c2c1)[C@@H](C)CC3=O
InChIInChI=1S/C14H12O5/c1-6-3-10(16)13-11(6)8-4-7(18-2)5-9(15)12(8)14(17)19-13/h4-6,15H,3H2,1-2H3/t6-/m0/s1
InChIKeyWCUQVKQCPDVPRC-LURJTMIESA-N
ChEBI Ontology
Outgoing Relation(s)
1-deoxyrubralactone (CHEBI:226195) is a isocoumarins (CHEBI:38758)
IUPAC Name 
6-hydroxy-8-methoxy-1-methyl-1,2-dihydrocyclopenta[c]isochromene-3,5-dione
Manual XrefsDatabases
23318842ChemSpider