ChEBI
  Marvin  07290816362D          

 12 13  0  0  0  0            999 V2000
   14.7889  -13.9387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5700  -12.3824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3123  -11.4176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2980  -13.2895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8887  -13.4104    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3451  -13.2895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3215  -12.0428    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   13.8542  -13.9387    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   14.8128  -12.9738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4086  -13.0370    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   13.8181  -12.9877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0731  -12.3824    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  8  1  0  0  0  0
  2  7  1  0  0  0  0
  2  6  1  0  0  0  0
  7  3  1  0  0  0  0
  4  5  2  0  0  0  0
 12  4  1  0  0  0  0
  6  8  1  0  0  0  0
 12  7  1  0  0  0  0
  7 10  1  0  0  0  0
  8 10  1  0  0  0  0
 10  9  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
> <ID>
CHEBI:488

> <NAME>
1,2-campholide

> <DEFINITION>
A δ-lactone that is 2-oxabicyclo[3.2.1]octan-3-one substituted by methyl groups at positions 1, 8 and 8 respectively.

> <STAR>
3

> <SYNONYM>
1,2-Campholide

> <IUPAC_NAME>
1,8,8-trimethyl-2-oxabicyclo[3.2.1]octan-3-one

> <FORMULA>
C10H16O2

> <MASS>
168.23284

> <MONOISOTOPIC_MASS>
168.11503

> <CHARGE>
0

> <SMILES>
CC1(C)C2CCC1(C)OC(=O)C2

> <INCHI>
InChI=1S/C10H16O2/c1-9(2)7-4-5-10(9,3)12-8(11)6-7/h7H,4-6H2,1-3H3

> <INCHIKEY>
AXRMSBLBSHJLGO-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
120056

> <REAXYS_REGISTRY_NUMBER>
120056

> <KEGG_COMPOUND_ACCESSION>
C02108

> <KNAPSACK_ACCESSION>
C00000834

$$$$