Marvin  10220522362D          

 11 12  0  0  0  0            999 V2000
    9.7933   -4.6594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0939   -5.0622    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.3757   -4.6562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3904   -3.8405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9068   -3.8291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6213   -4.2416    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.9068   -4.6541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0897   -3.4378    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.1046   -2.6129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7933   -3.8398    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.5151   -3.4402    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 10  8  1  0  0  0  0
  4  8  1  0  0  0  0
  6  8  1  0  0  0  0
  1 10  1  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  6  2  1  0  0  0  0
  4  3  1  0  0  0  0
  6  5  1  0  0  0  0
  6  7  1  0  0  0  0
  8  9  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
> <ID>
CHEBI:28093

> <NAME>
borneol

> <DEFINITION>
A bornane monoterpenoid that is 1,7,7-trimethylbicyclo[2.2.1]heptane substituted by a hydroxy group at position 2.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:3150; CHEBI:22913

> <SYNONYM>
Sumatra camphor; endo-2-hydroxycamphane; endo-2-camphanol; endo-2-bornanol; endo-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol; bornyl alcohol; borneol; Borneol; Borneo camphor

> <IUPAC_NAME>
1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol

> <FORMULA>
C10H18O

> <MASS>
154.24932

> <MONOISOTOPIC_MASS>
154.13577

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C10H18O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7-8,11H,4-6H2,1-3H3

> <INCHIKEY>
DTGKSKDOIYIVQL-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1903042

> <CAS_REGISTRY_NUMBER>
507-70-0

> <GMELIN_REGISTRY_NUMBER>
185292

> <CHEMIDPLUS>
507-70-0

> <KEGG_COMPOUND_ACCESSION>
C01411

> <KNAPSACK_ACCESSION>
C00003028

> <NIST_CHEMISTRY_WEBBOOK>
507-70-0

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