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CHEBI:227091 - Cephalosol

ChEBI IDCHEBI:227091
ChEBI NameCephalosol
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SubmitterMetaboLights
DownloadsMolfile
FormulaC16H14O8
Net Charge0
Average Mass334.280
Monoisotopic Mass334.06887
SMILESCOC(=O)C[C@]1(C)OC(=O)c2oc(=O)c3c(O)cc(OC)cc3c21
InChIInChI=1S/C16H14O8/c1-16(6-10(18)22-3)12-8-4-7(21-2)5-9(17)11(8)14(19)23-13(12)15(20)24-16/h4-5,17H,6H2,1-3H3/t16-/m0/s1
InChIKeyUUXIFHBKTREDJD-INIZCTEOSA-N
Species of MetaboliteComponentSourceComments
Cephalosporium (ncbitaxon:81097) - PubMed (18850610)
ChEBI Ontology
Outgoing Relation(s)
Cephalosol (CHEBI:227091) is a isocoumarins (CHEBI:38758)
IUPAC Name 
methyl 2-[(1S)-6-hydroxy-8-methoxy-1-methyl-3,5-dioxouro[3,4-c]isochromen-1-yl]acetate
Manual XrefsDatabases
28285825ChemSpider