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CHEBI:218849 - Roubetaelianone A

ChEBI IDCHEBI:218849
ChEBI NameRoubetaelianone A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC19H18O7
Net Charge0
Average Mass358.346
Monoisotopic Mass358.10525
SMILESCC(C)=CCOc1cc(O)c2c3c(c(O)cc(C)c13)C(=O)C(O)(O)C2=O
InChIInChI=1S/C19H18O7/c1-8(2)4-5-26-12-7-11(21)15-16-13(12)9(3)6-10(20)14(16)17(22)19(24,25)18(15)23/h4,6-7,20-21,24-25H,5H2,1-3H3
InChIKeyPPQRYVAHMXHVOC-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Phaeosphaeria (ncbitaxon:55067) - PubMed (8244885)
ChEBI Ontology
Outgoing Relation(s)
Roubetaelianone A (CHEBI:218849) is a ortho- and peri-fused tricyclic hydrocarbon (CHEBI:51120)
IUPAC Name 
2,2,4,9-tetrahydroxy-6-methyl-7-(3-methylbut-2-enoxy)phenalene-1,3-dione
Manual XrefsDatabases
78435361ChemSpider