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CHEBI:204002 - Roseopurpurin C

ChEBI IDCHEBI:204002
ChEBI NameRoseopurpurin C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC18H20O7
Net Charge0
Average Mass348.351
Monoisotopic Mass348.12090
SMILESCO[C@@]1(C)[C@H](O)C(=O)C(C)=C2OC(=O)c3c(C)cc(O)c(C)c3O[C@@H]21
InChIInChI=1S/C18H20O7/c1-7-6-10(19)8(2)13-11(7)17(22)25-14-9(3)12(20)15(21)18(4,23-5)16(14)24-13/h6,15-16,19,21H,1-5H3/t15-,16+,18+/m1/s1
InChIKeyKMXWTZIYEQGIFH-RYRKJORJSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (27537356)
ChEBI Ontology
Outgoing Relation(s)
Roseopurpurin C (CHEBI:204002) is a aromatic ether (CHEBI:35618)
IUPAC Name 
(1S,2S,11aS)-2,9-dihydroxy-1-methoxy-1,4,7,10-tetramethyl-2,11a-dihydrobenzo[b][1,4]benzodioxepine-3,6-dione
Manual XrefsDatabases
78440180ChemSpider