EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:197856 - Cladosporol C

ChEBI IDCHEBI:197856
ChEBI NameCladosporol C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H18O5
Net Charge0
Average Mass338.359
Monoisotopic Mass338.11542
SMILESO=C1CC[C@H](c2ccc(O)c3c2C(=O)CC[C@@H]3O)c2cccc(O)c21
InChIInChI=1S/C20H18O5/c21-13-3-1-2-11-10(4-6-14(22)18(11)13)12-5-7-16(24)20-17(25)9-8-15(23)19(12)20/h1-3,5,7,10,17,21,24-25H,4,6,8-9H2/t10-,17-/m0/s1
InChIKeyBXGHBKTYAIAELJ-BTDLBPIBSA-N
Species of MetaboliteComponentSourceComments
Cladosporium tenuissimum (ncbitaxon:70808) - PubMed (15279980)
ChEBI Ontology
Outgoing Relation(s)
Cladosporol C (CHEBI:197856) is a tetralins (CHEBI:36786)
IUPAC Name 
(4S)-4,5-dihydroxy-8-[(1R)-5-hydroxy-4-oxo-2,3-dihydro-1H-naphthalen-1-yl]-3,4-dihydro-2H-naphthalen-1-one
Manual XrefsDatabases
9373592ChemSpider