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CHEBI:81702 - (S)-Hemiketal

ChEBI IDCHEBI:81702
ChEBI Name(S)-Hemiketal
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DownloadsMolfile
FormulaC16H16O6
Net Charge0
Average Mass304.298
Monoisotopic Mass304.09469
SMILESCC1(O)O[C@H](CC(=O)O)CC2=C1C(=O)c1c(O)cccc1C2
InChIInChI=1S/C16H16O6/c1-16(21)14-9(6-10(22-16)7-12(18)19)5-8-3-2-4-11(17)13(8)15(14)20/h2-4,10,17,21H,5-7H2,1H3,(H,18,19)/t10-,16?/m0/s1
InChIKeyYIEUIGLDTPWIHC-VQVVDHBBSA-N
ChEBI Ontology
Outgoing Relation(s)
(S)-Hemiketal (CHEBI:81702) is a organic heterotricyclic compound (CHEBI:26979)
(S)-Hemiketal (CHEBI:81702) is a organooxygen compound (CHEBI:36963)
Manual XrefsDatabases
C18356KEGG COMPOUND