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CHEBI:197651 - Rubiginosin B

ChEBI IDCHEBI:197651
ChEBI NameRubiginosin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H22O8
Net Charge0
Average Mass402.399
Monoisotopic Mass402.13147
SMILESCc1cc(O)cc(O)c1C(=O)O[C@@]1(C)C(=O)C2=C(C=C(/C=C/CO)OC2)C[C@H]1O
InChIInChI=1S/C21H22O8/c1-11-6-13(23)9-16(24)18(11)20(27)29-21(2)17(25)8-12-7-14(4-3-5-22)28-10-15(12)19(21)26/h3-4,6-7,9,17,22-25H,5,8,10H2,1-2H3/b4-3+/t17-,21-/m1/s1
InChIKeyZRJGOGLZGFEQJT-RIEYKTBPSA-N
Species of MetaboliteComponentSourceComments
Hypoxylon rubiginosum (ncbitaxon:110542) - PubMed (15270570)
Roles Classification
Biological Role:
fungal metabolite  Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds.
ChEBI Ontology
Outgoing Relation(s)
Rubiginosin B (CHEBI:197651) is a azaphilone (CHEBI:50941)
IUPAC Name 
[(6R,7R)-6-hydroxy-3-[(E)-3-hydroxyprop-1-enyl]-7-methyl-8-oxo-5,6-dihydro-1H-isochromen-7-yl] 2,4-dihydroxy-6-methylbenzoate
Manual XrefsDatabases
9444646ChemSpider