6481824
  CDK     0602212312

 22 24  0  0  0  0  0  0  0  0999 V2000
    4.5457    1.8635    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8358    1.4536    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3659    0.6200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7432    0.6058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9925    0.1876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7498    1.4650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2781    0.6001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9925   -0.6374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0056    1.8947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2781   -1.0498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5636    0.1876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5681    0.5962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1473   -0.1134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5636   -0.6374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2648    1.4593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8262    0.6287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8262   -1.0784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0787   -0.6545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0787    0.2048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3659   -1.0697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3691   -1.8947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6499   -0.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  2  0  0  0  0 
  2 16  1  0  0  0  0 
  3 19  1  0  0  0  0 
  4  5  1  0  0  0  0 
  4  6  1  0  0  0  0 
  4 12  1  0  0  0  0 
  4 13  1  0  0  0  0 
  5  7  2  0  0  0  0 
  5  8  1  0  0  0  0 
  6  9  1  0  0  0  0 
  7 11  1  0  0  0  0 
  7 15  1  0  0  0  0 
  8 10  1  0  0  0  0 
  9 15  1  0  0  0  0 
 10 14  1  0  0  0  0 
 11 14  1  0  0  0  0 
 11 16  2  0  0  0  0 
 14 17  2  0  0  0  0 
 16 19  1  0  0  0  0 
 17 18  1  0  0  0  0 
 18 19  2  0  0  0  0 
 18 20  1  0  0  0  0 
 20 21  1  0  0  0  0 
 20 22  1  0  0  0  0 
M  END
> <ID>
CHEBI:174876

> <NAME>
Sageone

> <STAR>
2

> <IUPAC_NAME>
5,6-dihydroxy-1,1-dimethyl-7-propan-2-yl-2,3,9,10-tetrahydrophenanthren-4-one

> <FORMULA>
C19H24O3

> <MASS>
300.398

> <MONOISOTOPIC_MASS>
300.17254

> <CHARGE>
0

> <SMILES>
O=C1C2=C(C(CC1)(C)C)CCC=3C2=C(O)C(O)=C(C3)C(C)C

> <INCHI>
InChI=1S/C19H24O3/c1-10(2)12-9-11-5-6-13-16(15(11)18(22)17(12)21)14(20)7-8-19(13,3)4/h9-10,21-22H,5-8H2,1-4H3

> <INCHIKEY>
NPQAMUFQEFLLCY-UHFFFAOYSA-N

$$$$