11033588
  -OEChem-05072414482D

 39 41  0     1  0  0  0  0  0999 V2000
    3.9061   -1.5903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1359    0.4685    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6660    1.4444    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4260   -1.5903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4144    1.4790    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -1.0764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -0.0348    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.9061    0.4790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8000   -0.0556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8000   -1.0556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.0803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5033   -1.9444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6660    0.4444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6660   -1.5556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5320   -0.0556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5320   -1.0556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4260    0.4790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3321   -1.0764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3321   -0.0348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8000    1.9444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1962   -1.5798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0036    0.5852    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3107    0.9488    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5124    0.9581    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9976   -0.4603    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800   -1.0827    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0024   -1.7003    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9652   -1.6364    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1954   -2.4825    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0415   -2.2523    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6660   -2.1756    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1383    1.0885    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8678    0.2773    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1100    2.4813    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2631    2.2544    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4900    1.4074    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8841   -2.1155    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7319   -1.8918    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5082   -1.0440    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
  7  2  1  6  0  0  0
  2 32  1  0  0  0  0
  3 13  1  0  0  0  0
  3 20  1  0  0  0  0
  4 16  1  0  0  0  0
  4 18  1  0  0  0  0
  5 17  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
  8 24  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 25  1  0  0  0  0
 11 26  1  0  0  0  0
 11 27  1  0  0  0  0
 12 28  1  0  0  0  0
 12 29  1  0  0  0  0
 12 30  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  2  0  0  0  0
 14 31  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 19  1  0  0  0  0
 18 19  2  0  0  0  0
 18 21  1  0  0  0  0
 19 33  1  0  0  0  0
 20 34  1  0  0  0  0
 20 35  1  0  0  0  0
 20 36  1  0  0  0  0
 21 37  1  0  0  0  0
 21 38  1  0  0  0  0
 21 39  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
11033588

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
469

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB4OAAAAAAAAAAAAAAAAAAAAAAAAAA0QIAAAAAAAACRAAAAGgAACAAADFSgmAIyBoAABgCIAqBSAAACCAAkIAAAiAEGCMgNNzaENRqCeWCl4BULqQfI7PzOIAACCAAIAABAAAQQABAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(3R)-3-hydroxy-5-methoxy-2,2,8-trimethyl-3,4-dihydropyrano[3,2-g]chromen-6-one

> <PUBCHEM_IUPAC_CAS_NAME>
(3R)-3-hydroxy-5-methoxy-2,2,8-trimethyl-3,4-dihydropyrano[3,2-g][1]benzopyran-6-one

> <PUBCHEM_IUPAC_NAME_MARKUP>
(3<I>R</I>)-3-hydroxy-5-methoxy-2,2,8-trimethyl-3,4-dihydropyrano[3,2-g]chromen-6-one

> <PUBCHEM_IUPAC_NAME>
(3R)-3-hydroxy-5-methoxy-2,2,8-trimethyl-3,4-dihydropyrano[3,2-g]chromen-6-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(3R)-5-methoxy-2,2,8-trimethyl-3-oxidanyl-3,4-dihydropyrano[3,2-g]chromen-6-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(3R)-3-hydroxy-5-methoxy-2,2,8-trimethyl-3,4-dihydropyrano[3,2-g]chromen-6-one

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C16H18O5/c1-8-5-10(17)14-12(20-8)7-11-9(15(14)19-4)6-13(18)16(2,3)21-11/h5,7,13,18H,6H2,1-4H3/t13-/m1/s1

> <PUBCHEM_IUPAC_INCHIKEY>
SGCZPPRRLCNDAZ-CYBMUJFWSA-N

> <PUBCHEM_XLOGP3_AA>
1.9

> <PUBCHEM_EXACT_MASS>
290.11542367

> <PUBCHEM_MOLECULAR_FORMULA>
C16H18O5

> <PUBCHEM_MOLECULAR_WEIGHT>
290.31

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=CC(=O)C2=C(C3=C(C=C2O1)OC(C(C3)O)(C)C)OC

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=CC(=O)C2=C(C3=C(C=C2O1)OC([C@@H](C3)O)(C)C)OC

> <PUBCHEM_CACTVS_TPSA>
65

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
290.11542367

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
21

> <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>
10  14  8
13  15  8
14  16  8
15  16  8
15  17  8
17  19  8
18  19  8
7  2  6
4  16  8
4  18  8
9  10  8
9  13  8

$$$$