78409356
  CDK     0811221958

 16 17  0  0  0  0  0  0  0  0999 V2000
    4.8021    1.0828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2843   -0.7813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2802    0.0437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0596    0.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0662   -1.0288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443   -0.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6326    0.5549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7254    0.7861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6419   -1.2989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2884   -1.6063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8293    0.3673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8367   -1.1193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750   -0.3779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4802    0.4530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6365    1.6063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.3819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0 
  2  3  1  0  0  0  0 
  2  5  1  0  0  0  0 
  2  9  1  0  0  0  0 
  2 10  1  0  0  0  0 
  3  4  1  0  0  0  0 
  3  7  1  0  0  0  0 
  4  6  1  0  0  0  0 
  4  8  1  0  0  0  0 
  5  6  1  0  0  0  0 
  7 11  1  0  0  0  0 
  8 14  1  0  0  0  0 
  8 15  1  0  0  0  0 
  9 12  1  0  0  0  0 
 11 13  1  0  0  0  0 
 12 13  2  0  0  0  0 
 13 16  1  0  0  0  0 
M  END
> <ID>
CHEBI:192927

> <NAME>
4beta-8-Daucen-4-ol

> <STAR>
2

> <IUPAC_NAME>
3a,6-dimethyl-1-propan-2-yl-2,3,4,7,8,8a-hexahydroazulen-1-ol

> <FORMULA>
C15H26O

> <MASS>
222.372

> <MONOISOTOPIC_MASS>
222.19837

> <CHARGE>
0

> <SMILES>
OC1(C2C(CC1)(CC=C(CC2)C)C)C(C)C

> <INCHI>
InChI=1S/C15H26O/c1-11(2)15(16)10-9-14(4)8-7-12(3)5-6-13(14)15/h7,11,13,16H,5-6,8-10H2,1-4H3

> <INCHIKEY>
HTJLBKLQZZOCAC-UHFFFAOYSA-N

$$$$