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CHEBI:203246 - Cladosporol B

ChEBI IDCHEBI:203246
ChEBI NameCladosporol B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC20H14O6
Net Charge0
Average Mass350.326
Monoisotopic Mass350.07904
SMILESO=C1CC[C@H](c2ccc(O)c3c2C(=O)[C@@H]2O[C@@H]2C3=O)c2cccc(O)c21
InChIInChI=1S/C20H14O6/c21-11-3-1-2-9-8(4-6-12(22)14(9)11)10-5-7-13(23)16-15(10)17(24)19-20(26-19)18(16)25/h1-3,5,7-8,19-21,23H,4,6H2/t8-,19-,20+/m0/s1
InChIKeyMQBNXACTQPQCQX-JMBWCGFRSA-N
Species of MetaboliteComponentSourceComments
Cladosporium tenuissimum (ncbitaxon:70808) - PubMed (15279980)
ChEBI Ontology
Outgoing Relation(s)
Cladosporol B (CHEBI:203246) is a naphthoquinone (CHEBI:25481)
IUPAC Name 
(1aS,7aR)-3-hydroxy-6-[(1R)-5-hydroxy-4-oxo-2,3-dihydro-1H-naphthalen-1-yl]-1a,7a-dihydronaphtho[2,3-b]oxirene-2,7-dione
Manual XrefsDatabases
9408447ChemSpider