11954193
  -OEChem-05102418502D

 43 47  0     1  0  0  0  0  0999 V2000
    7.9688   -0.6718    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7596    2.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4916    1.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1079    2.1383    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1670   -2.3347    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6256    0.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.7596    0.3000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.8935    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3626    0.1330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6256    1.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8935    1.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9575   -0.7748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0935    0.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9996    0.2654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1079    0.4618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0935    1.8209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    1.3000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.9996    2.3347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3907    0.2562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5524   -1.6223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0050   -0.5773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000    1.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5831   -1.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.1661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.4340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0725   -0.2005    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2362    1.6924    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8376    2.3827    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0068   -0.3546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5705    0.1526    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3589   -0.1051    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2183    1.8524    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0068    2.9547    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4916    1.9200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6368    0.8252    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2932   -2.1856    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6215   -0.5107    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    2.4761    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    2.7030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    1.8561    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800    0.4340    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -0.1029    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7839   -2.2728    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 12  1  0  0  0  0
  2 10  1  0  0  0  0
  2 11  1  0  0  0  0
  6  3  1  6  0  0  0
  3 34  1  0  0  0  0
  4 16  1  0  0  0  0
  4 17  1  0  0  0  0
  5 23  1  0  0  0  0
  5 43  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7  8  1  0  0  0  0
  7 26  1  6  0  0  0
  8 11  2  0  0  0  0
  8 14  1  0  0  0  0
  9 12  2  0  0  0  0
  9 19  1  0  0  0  0
 10 27  1  0  0  0  0
 10 28  1  0  0  0  0
 11 18  1  0  0  0  0
 12 20  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 29  1  0  0  0  0
 15 17  1  0  0  0  0
 15 30  1  0  0  0  0
 15 31  1  0  0  0  0
 16 18  2  0  0  0  0
 17 22  1  1  0  0  0
 17 32  1  0  0  0  0
 18 33  1  0  0  0  0
 19 21  2  0  0  0  0
 19 35  1  0  0  0  0
 20 23  2  0  0  0  0
 20 36  1  0  0  0  0
 21 23  1  0  0  0  0
 21 37  1  0  0  0  0
 22 24  1  0  0  0  0
 22 25  2  0  0  0  0
 24 38  1  0  0  0  0
 24 39  1  0  0  0  0
 24 40  1  0  0  0  0
 25 41  1  0  0  0  0
 25 42  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
11954193

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
564

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB4OAAAAAAAAAAAAAAAAAAAASJAAAA0YIAAAAAAAEiRQAAAGgAACAAADFSgmAIyBoAABgCAAiBCAAACCAAgIAAIiAAGCIgNJyKGMRqCeCClwBULuAfA4PwOoAACCAAIAABAAAQQABAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(1S,6S,13S)-6-isopropenyl-7,11,20-trioxapentacyclo[11.7.0.02,10.04,8.014,19]icosa-2(10),3,8,14(19),15,17-hexaene-13,17-diol

> <PUBCHEM_IUPAC_CAS_NAME>
(1S,6S,13S)-6-(1-methylethenyl)-7,11,20-trioxapentacyclo[11.7.0.02,10.04,8.014,19]eicosa-2(10),3,8,14(19),15,17-hexaene-13,17-diol

> <PUBCHEM_IUPAC_NAME_MARKUP>
(1<I>S</I>,6<I>S</I>,13<I>S</I>)-6-prop-1-en-2-yl-7,11,20-trioxapentacyclo[11.7.0.0<SUP>2,10</SUP>.0<SUP>4,8</SUP>.0<SUP>14,19</SUP>]icosa-2(10),3,8,14(19),15,17-hexaene-13,17-diol

> <PUBCHEM_IUPAC_NAME>
(1S,6S,13S)-6-prop-1-en-2-yl-7,11,20-trioxapentacyclo[11.7.0.02,10.04,8.014,19]icosa-2(10),3,8,14(19),15,17-hexaene-13,17-diol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(1S,6S,13S)-6-prop-1-en-2-yl-7,11,20-trioxapentacyclo[11.7.0.02,10.04,8.014,19]icosa-2(10),3,8,14(19),15,17-hexaene-13,17-diol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(1S,6S,13S)-6-isopropenyl-7,11,20-trioxapentacyclo[11.7.0.02,10.04,8.014,19]eicosa-2(10),3,8,14(19),15,17-hexaene-13,17-diol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C20H18O5/c1-10(2)15-6-11-5-13-17(8-16(11)24-15)23-9-20(22)14-4-3-12(21)7-18(14)25-19(13)20/h3-5,7-8,15,19,21-22H,1,6,9H2,2H3/t15-,19-,20+/m0/s1

> <PUBCHEM_IUPAC_INCHIKEY>
MIYTVBARXCVVHZ-RYGJVYDSSA-N

> <PUBCHEM_XLOGP3_AA>
2.9

> <PUBCHEM_EXACT_MASS>
338.11542367

> <PUBCHEM_MOLECULAR_FORMULA>
C20H18O5

> <PUBCHEM_MOLECULAR_WEIGHT>
338.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(=C)C1CC2=CC3=C(C=C2O1)OCC4(C3OC5=C4C=CC(=C5)O)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(=C)[C@@H]1CC2=CC3=C(C=C2O1)OC[C@@]4([C@H]3OC5=C4C=CC(=C5)O)O

> <PUBCHEM_CACTVS_TPSA>
68.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
338.11542367

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
25

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
3

> <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>
11  18  8
12  20  8
13  14  8
13  16  8
16  18  8
17  22  5
19  21  8
20  23  8
21  23  8
6  3  6
7  26  6
8  11  8
8  14  8
9  12  8
9  19  8

$$$$