44144312
  -OEChem-05062400282D

 39 41  0     1  0  0  0  0  0999 V2000
    4.3083   -2.1249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3198    0.9443    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5381   -0.0661    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0522    0.9513    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9464    2.4790    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4022   -1.6111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4022   -0.5694    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.3083   -0.0556    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.2022   -0.5902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2022   -1.5902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4022   -1.6149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9056   -2.4790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0682   -0.0902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0682   -2.0902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9343   -0.5902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9343   -1.5902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4597    1.4543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8443   -0.0834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4712    2.4543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9502    1.4790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8523    0.9582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8647   -0.8784    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7744    0.2596    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3998   -0.9949    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7822   -1.6173    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4046   -2.2349    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3674   -2.1711    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5976   -3.0171    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4437   -2.7869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0682   -2.7102    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.3740    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4712   -1.9002    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8504    1.5690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2409    0.8742    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3776   -0.3996    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0912    2.4471    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4784    3.0742    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8513    2.4614    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3904    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 10  1  0  0  0  0
  8  2  1  6  0  0  0
  2 17  1  0  0  0  0
  7  3  1  1  0  0  0
  3 31  1  0  0  0  0
  4 13  1  0  0  0  0
  4 20  1  0  0  0  0
  5 20  2  0  0  0  0
  6  7  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7  8  1  0  0  0  0
  7 22  1  0  0  0  0
  8  9  1  0  0  0  0
  8 23  1  0  0  0  0
  9 10  2  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 24  1  0  0  0  0
 11 25  1  0  0  0  0
 11 26  1  0  0  0  0
 12 27  1  0  0  0  0
 12 28  1  0  0  0  0
 12 29  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  2  0  0  0  0
 14 30  1  0  0  0  0
 15 16  1  0  0  0  0
 15 18  1  0  0  0  0
 16 32  1  0  0  0  0
 17 19  1  0  0  0  0
 17 33  1  0  0  0  0
 17 34  1  0  0  0  0
 18 21  2  0  0  0  0
 18 35  1  0  0  0  0
 19 36  1  0  0  0  0
 19 37  1  0  0  0  0
 19 38  1  0  0  0  0
 20 21  1  0  0  0  0
 21 39  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
44144312

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
444

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB4OAAAAAAAAAAAAAAAAAAAAAAAAAA0QIAAAAAAAACRAAAAGgAACAAADFSgmAIyDoAABgCIAiDSCAACCAAgIAAIiAAGCMgNNyKEMRqCeiClwBULqYfA4PwOIAACCAAIAABAAAQQABAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(9S,10R)-10-ethoxy-9-hydroxy-8,8-dimethyl-9,10-dihydropyrano[2,3-f]chromen-2-one

> <PUBCHEM_IUPAC_CAS_NAME>
(9S,10R)-10-ethoxy-9-hydroxy-8,8-dimethyl-9,10-dihydropyrano[2,3-f][1]benzopyran-2-one

> <PUBCHEM_IUPAC_NAME_MARKUP>
(9<I>S</I>,10<I>R</I>)-10-ethoxy-9-hydroxy-8,8-dimethyl-9,10-dihydropyrano[2,3-f]chromen-2-one

> <PUBCHEM_IUPAC_NAME>
(9S,10R)-10-ethoxy-9-hydroxy-8,8-dimethyl-9,10-dihydropyrano[2,3-f]chromen-2-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(9S,10R)-10-ethoxy-8,8-dimethyl-9-oxidanyl-9,10-dihydropyrano[2,3-f]chromen-2-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(9S,10R)-10-ethoxy-9-hydroxy-8,8-dimethyl-9,10-dihydropyrano[2,3-f]chromen-2-one

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C16H18O5/c1-4-19-14-12-10(21-16(2,3)15(14)18)7-5-9-6-8-11(17)20-13(9)12/h5-8,14-15,18H,4H2,1-3H3/t14-,15+/m1/s1

> <PUBCHEM_IUPAC_INCHIKEY>
UCLKQWHJVUDTFJ-CABCVRRESA-N

> <PUBCHEM_XLOGP3_AA>
1.7

> <PUBCHEM_EXACT_MASS>
290.11542367

> <PUBCHEM_MOLECULAR_FORMULA>
C16H18O5

> <PUBCHEM_MOLECULAR_WEIGHT>
290.31

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCOC1C(C(OC2=C1C3=C(C=C2)C=CC(=O)O3)(C)C)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCO[C@H]1[C@@H](C(OC2=C1C3=C(C=C2)C=CC(=O)O3)(C)C)O

> <PUBCHEM_CACTVS_TPSA>
65

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
290.11542367

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
21

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
2

> <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>
10  14  8
13  15  8
14  16  8
15  16  8
15  18  8
18  21  8
8  2  6
20  21  8
7  3  5
4  13  8
4  20  8
9  10  8
9  13  8

$$$$