CHEBI:81702 - (S)-Hemiketal

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (S)-Hemiketal
ChEBI ID CHEBI:81702
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C16H16O6
Net Charge 0
Average Mass 304.29460
Monoisotopic Mass 304.09469
InChI InChI=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
InChIKey YIEUIGLDTPWIHC-VQVVDHBBSA-N
SMILES CC1(O)O[C@H](CC(O)=O)CC2=C1C(=O)c1c(O)cccc1C2
ChEBI Ontology
Outgoing (S)-Hemiketal (CHEBI:81702) is a organic heterotricyclic compound (CHEBI:26979)
(S)-Hemiketal (CHEBI:81702) is a organooxygen compound (CHEBI:36963)
Manual Xref Database
C18356 KEGG COMPOUND
View more database links