11823236
  -OEChem-05122418592D

 43 45  0     1  0  0  0  0  0999 V2000
    5.4983   -2.1249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7282   -0.0661    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2422    0.9513    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6000    1.4306    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1364    2.4790    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5923   -1.6111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5923   -0.5694    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.4983   -0.0556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3923   -0.5902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5923   -1.6149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0956   -2.4790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3923   -1.5902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2583   -0.0902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2583   -2.0902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1243   -0.5902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.9339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1243   -1.5902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8680    1.4372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0343   -0.0834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8718    2.4372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.9406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1403    1.4790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0424    0.9582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0547   -0.8784    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9029    0.4142    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1047    0.4234    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5899   -0.9949    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9723   -1.6173    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5947   -2.2349    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5575   -2.1711    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7877   -3.0171    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6337   -2.7869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2583   -2.7102    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6613   -1.9002    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3322    1.7493    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5676   -0.3996    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4918    2.4348    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8742    3.0572    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2518    2.4396    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6921    1.4787    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4619    0.6326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3079    0.4024    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5805    1.2661    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1 12  1  0  0  0  0
  7  2  1  6  0  0  0
  2 16  1  0  0  0  0
  3 13  1  0  0  0  0
  3 22  1  0  0  0  0
  4 16  2  0  0  0  0
  5 22  2  0  0  0  0
  6  7  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  7 24  1  0  0  0  0
  8  9  1  0  0  0  0
  8 25  1  0  0  0  0
  8 26  1  0  0  0  0
  9 12  2  0  0  0  0
  9 13  1  0  0  0  0
 10 27  1  0  0  0  0
 10 28  1  0  0  0  0
 10 29  1  0  0  0  0
 11 30  1  0  0  0  0
 11 31  1  0  0  0  0
 11 32  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 17  2  0  0  0  0
 14 33  1  0  0  0  0
 15 17  1  0  0  0  0
 15 19  1  0  0  0  0
 16 18  1  0  0  0  0
 17 34  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
 18 35  1  0  0  0  0
 19 23  2  0  0  0  0
 19 36  1  0  0  0  0
 20 37  1  0  0  0  0
 20 38  1  0  0  0  0
 20 39  1  0  0  0  0
 21 40  1  0  0  0  0
 21 41  1  0  0  0  0
 21 42  1  0  0  0  0
 22 23  1  0  0  0  0
 23 43  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
11823236

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
522

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB4OAAAAAAAAAAAAAAAAAAAAAAAAAA0QIAAAAAAAACRAAAAGgAAAAAADVSgmAIyDoAABACIAiDSCAACCAAgIAAIiAEGCMgNJyKEMRqCOiClwBUKqYfA4PwOIAACCAAIAABAAAQQABAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
[(9R)-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-h]chromen-9-yl] 2-methylpropanoate

> <PUBCHEM_IUPAC_CAS_NAME>
2-methylpropanoic acid [(9R)-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-h][1]benzopyran-9-yl] ester

> <PUBCHEM_IUPAC_NAME_MARKUP>
[(9<I>R</I>)-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-h]chromen-9-yl] 2-methylpropanoate

> <PUBCHEM_IUPAC_NAME>
[(9R)-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-h]chromen-9-yl] 2-methylpropanoate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
[(9R)-8,8-dimethyl-2-oxidanylidene-9,10-dihydropyrano[2,3-h]chromen-9-yl] 2-methylpropanoate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-methylpropionic acid [(9R)-2-keto-8,8-dimethyl-9,10-dihydropyrano[2,3-h]chromen-9-yl] ester

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C18H20O5/c1-10(2)17(20)21-14-9-12-13(23-18(14,3)4)7-5-11-6-8-15(19)22-16(11)12/h5-8,10,14H,9H2,1-4H3/t14-/m1/s1

> <PUBCHEM_IUPAC_INCHIKEY>
PKHNHXIOSSYBJU-CQSZACIVSA-N

> <PUBCHEM_XLOGP3_AA>
3.5

> <PUBCHEM_EXACT_MASS>
316.13107373

> <PUBCHEM_MOLECULAR_FORMULA>
C18H20O5

> <PUBCHEM_MOLECULAR_WEIGHT>
316.3

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(C)C(=O)OC1CC2=C(C=CC3=C2OC(=O)C=C3)OC1(C)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(C)C(=O)O[C@@H]1CC2=C(C=CC3=C2OC(=O)C=C3)OC1(C)C

> <PUBCHEM_CACTVS_TPSA>
61.8

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
316.13107373

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
23

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
1

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
12  14  8
13  15  8
14  17  8
15  17  8
15  19  8
19  23  8
7  2  6
22  23  8
3  13  8
3  22  8
9  12  8
9  13  8

$$$$