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CHEBI:199700 - Roseopurpurin B

ChEBI IDCHEBI:199700
ChEBI NameRoseopurpurin B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC19H24O8
Net Charge0
Average Mass380.393
Monoisotopic Mass380.14712
SMILESCOC(=O)c1c(C)cc(O)c(C)c1O[C@H]1C(=O)C(C)=C(O)[C@@H](O)[C@]1(C)OC
InChIInChI=1S/C19H24O8/c1-8-7-11(20)9(2)15(12(8)18(24)25-5)27-17-14(22)10(3)13(21)16(23)19(17,4)26-6/h7,16-17,20-21,23H,1-6H3/t16-,17+,19+/m1/s1
InChIKeyGJGRGJCMJUMZKN-AOIWGVFYSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (27537356)
ChEBI Ontology
Outgoing Relation(s)
Roseopurpurin B (CHEBI:199700) is a 4-hydroxybenzoate ester (CHEBI:79323)
IUPAC Name 
methyl 2-[(1R,5R,6S)-4,5-dihydroxy-6-methoxy-3,6-dimethyl-2-oxocyclohex-3-en-1-yl]oxy-4-hydroxy-3,6-dimethylbenzoate
Manual XrefsDatabases
78440055ChemSpider