Mrv0541 02241223372D          

 19 21  0  0  0  0            999 V2000
    1.9384   -1.5668    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1131   -1.5668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6180   -2.2270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1243   -2.0619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5358   -1.3196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3611   -1.4017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6083   -2.2270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7009   -0.9074    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0414   -0.5773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6180   -0.0829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9384   -0.9074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8555   -0.0829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1960    0.3293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4537    0.1643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0407    0.8245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8555    1.6497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1960    1.1545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4537    1.4846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2065    2.2270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  8  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  9  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 14  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 17  1  0  0  0  0
 14 15  1  0  0  0  0
 15 18  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
M  END
> <DATABASE_ID>
CHEM025509

> <DATABASE_NAME>
chemdb

> <SMILES>
CC1CCC2C(OC(=O)C2=C)C2(C)OC(=O)CCC12

> <INCHI_IDENTIFIER>
InChI=1S/C15H20O4/c1-8-4-5-10-9(2)14(17)18-13(10)15(3)11(8)6-7-12(16)19-15/h8,10-11,13H,2,4-7H2,1,3H3

> <INCHI_KEY>
FZYIWDQVFMUXPW-UHFFFAOYSA-N

> <FORMULA>
C15H20O4

> <MOLECULAR_WEIGHT>
264.3169

> <EXACT_MASS>
264.136159128

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_AVERAGE_POLARIZABILITY>
27.818011471457226

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
1,9-dimethyl-5-methylidene-3,14-dioxatricyclo[8.4.0.0²,⁶]tetradecane-4,13-dione

> <ALOGPS_LOGP>
2.81

> <JCHEM_LOGP>
2.654705635333333

> <ALOGPS_LOGS>
-2.96

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-6.652545607537194

> <JCHEM_POLAR_SURFACE_AREA>
52.6

> <JCHEM_REFRACTIVITY>
67.89529999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.88e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
1,9-dimethyl-5-methylidene-3,14-dioxatricyclo[8.4.0.0²,⁶]tetradecane-4,13-dione

> <JCHEM_VEBER_RULE>
0

> <NAME>
Psilostachyin C

$$$$