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CHEBI:204603 - Ruguloxanthone A

ChEBI IDCHEBI:204603
ChEBI NameRuguloxanthone A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC25H26O6
Net Charge0
Average Mass422.477
Monoisotopic Mass422.17294
SMILESC=C(C)[C@H]1COc2c(C)cc3oc4c(CC(C)(C)C=O)ccc(O)c4c(=O)c3c2[C@@H]1O
InChIInChI=1S/C25H26O6/c1-12(2)15-10-30-23-13(3)8-17-19(20(23)21(15)28)22(29)18-16(27)7-6-14(24(18)31-17)9-25(4,5)11-26/h6-8,11,15,21,27-28H,1,9-10H2,2-5H3/t15-,21-/m1/s1
InChIKeyJDSJQMDLJSHVII-QVKFZJNVSA-N
Species of MetaboliteComponentSourceComments
Aspergillus rugulosus (ncbitaxon:41736) - PubMed (19627125)
ChEBI Ontology
Outgoing Relation(s)
Ruguloxanthone A (CHEBI:204603) is a pyranoxanthones (CHEBI:71238)
IUPAC Name 
3-[(1R,2S)-1,11-dihydroxy-5-methyl-12-oxo-2-prop-1-en-2-yl-2,3-dihydro-1H-pyrano[3,2-a]xanthen-8-yl]-2,2-dimethylpropanal
Manual XrefsDatabases
24661779ChemSpider