CHEBI:29064 - 1,6,6-trimethyl-2,7-dioxabicyclo[3.2.2]nonan-3-one

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1,6,6-trimethyl-2,7-dioxabicyclo[3.2.2]nonan-3-one
ChEBI ID CHEBI:29064
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:11177, CHEBI:18947, CHEBI:552
Supplier Information
Download Molfile XML SDF
Formula C10H16O3
Net Charge 0
Average Mass 184.23224
Monoisotopic Mass 184.10994
InChI InChI=1S/C10H16O3/c1-9(2)7-4-5-10(3,13-9)12-8(11)6-7/h7H,4-6H2,1-3H3
InChIKey KAUZXNDCPVMFCH-UHFFFAOYSA-N
SMILES CC1(C)OC2(C)CCC1CC(=O)O2
ChEBI Ontology
Outgoing 1,6,6-trimethyl-2,7-dioxabicyclo[3.2.2]nonan-3-one (CHEBI:29064) is a nonanone (CHEBI:25579)
IUPAC Name
1,6,6-trimethyl-2,7-dioxabicyclo[3.2.2]nonan-3-one
Synonyms Sources
1,6,6-trimethyl-2,7-dioxabicyclo-[3.2.2]nonan-3-one ChEBI
1,6,6-Trimethyl-2,7-dioxabicyclo[3.2.2]nonan-3-one KEGG COMPOUND
1,6,6-trimethyl-2,7-dioxabicyclo[3.2.2]nonan-3-one UniProt
Manual Xref Database
C04718 KEGG COMPOUND
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Last Modified
23 May 2013