Mrv0541 05061305552D          

 18 20  0  0  0  0            999 V2000
    3.4884   -1.8267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3704    0.3154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9097    2.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3482   -0.8055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7829   -0.6935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8795   -0.1744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3469    0.0069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7380    1.6591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5473   -1.0038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7392    0.8467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9384    0.6485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5024    1.3488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4058    0.8298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7982    1.6696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9372    1.4609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4985    2.1056    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0337    1.9799    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1249    1.6055    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  6  4  1  0  0  0  0
  7  5  1  0  0  0  0
  9  1  1  0  0  0  0
  9  4  2  0  0  0  0
  9  5  1  0  0  0  0
 10  2  2  0  0  0  0
 11  6  1  0  0  0  0
 11 10  1  0  0  0  0
 12  8  1  0  0  0  0
 12 11  1  0  0  0  0
 13  7  1  0  0  0  0
 14 10  1  0  0  0  0
 15  3  1  0  0  0  0
 15  8  1  0  0  0  0
 15 13  1  0  0  0  0
 16 14  2  0  0  0  0
 17 12  1  0  0  0  0
 17 14  1  0  0  0  0
 18 13  1  0  0  0  0
 18 15  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM025269

> <DATABASE_NAME>
chemdb

> <SMILES>
C\C1=C\CC2C(CC3(C)OC3CC1)OC(=O)C2=C

> <INCHI_IDENTIFIER>
InChI=1S/C15H20O3/c1-9-4-6-11-10(2)14(16)17-12(11)8-15(3)13(18-15)7-5-9/h4,11-13H,2,5-8H2,1,3H3/b9-4-

> <INCHI_KEY>
ACDBVOJKXAGTJM-WTKPLQERSA-N

> <FORMULA>
C15H20O3

> <MOLECULAR_WEIGHT>
248.3175

> <EXACT_MASS>
248.141244506

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_AVERAGE_POLARIZABILITY>
27.03210898137457

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(8Z)-3,8-dimethyl-12-methylidene-4,14-dioxatricyclo[9.3.0.0³,⁵]tetradec-8-en-13-one

> <ALOGPS_LOGP>
2.95

> <JCHEM_LOGP>
2.686683672333333

> <ALOGPS_LOGS>
-3.09

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-4.2241583989223805

> <JCHEM_POLAR_SURFACE_AREA>
38.83

> <JCHEM_REFRACTIVITY>
68.8173

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.01e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(8Z)-3,8-dimethyl-12-methylidene-4,14-dioxatricyclo[9.3.0.0³,⁵]tetradec-8-en-13-one

> <JCHEM_VEBER_RULE>
1

> <NAME>
(1beta,4E,8beta,10alpha)-1,10-Epoxy-4,11(13)-germacradien-12,8-olide

$$$$