CHEBI:81986 - Dikegulac

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Dikegulac
ChEBI ID CHEBI:81986
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C12H18O7
Net Charge 0
Average Mass 274.26710
Monoisotopic Mass 274.10525
InChI InChI=1S/C12H18O7/c1-10(2)15-5-6-7(17-10)8-12(16-6,9(13)14)19-11(3,4)18-8/h6-8H,5H2,1-4H3,(H,13,14)/t6-,7+,8-,12+/m0/s1
InChIKey FWCBATIDXGJRMF-FLNNQWSLSA-N
SMILES CC1(C)O[C@H]2[C@@H]3OC(C)(C)OC[C@@H]3O[C@]2(O1)C(O)=O
ChEBI Ontology
Outgoing Dikegulac (CHEBI:81986) is a dioxanes (CHEBI:46926)
Synonym Source
Diprogulic acid KEGG COMPOUND
Manual Xrefs Databases
1113 PPDB
C18825 KEGG COMPOUND
View more database links
Registry Number Type Source
18467-77-1 CAS Registry Number KEGG COMPOUND