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CHEBI:6060 - Isosorbide

Default Structure
ChEBI IDCHEBI:6060
ChEBI NameIsosorbide
Stars
Last Modified22 February 2017
DownloadsMolfile
FormulaC6H10O4
Net Charge0
Average Mass146.142
Monoisotopic Mass146.05791
SMILES[H][C@]12OC[C@H](O)[C@@]1([H])OC[C@H]2O
InChIInChI=1S/C6H10O4/c7-3-1-9-6-4(8)2-10-5(3)6/h3-8H,1-2H2/t3-,4+,5-,6-/m1/s1
InChIKeyKLDXJTOLSGUMSJ-JGWLITMVSA-N
ChEBI Ontology
Outgoing Relation(s)
Isosorbide (CHEBI:6060) is a organic molecular entity (CHEBI:50860)
Synonyms  Source
(+)-D-IsosorbideDrugCentral
isobideDrugCentral
IsosorbideKEGG COMPOUND
Manual XrefsDatabases
1501DrugCentral
D00347KEGG DRUG
Registry NumbersSources
CAS:652-67-5KEGG COMPOUND