320930
  -OEChem-05072405372D

 36 39  0     1  0  0  0  0  0999 V2000
    7.8003    1.3865    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0682    2.3865    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4812   -3.1701    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3198    3.4211    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5123   -3.3818    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5381    2.4106    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9343    0.8865    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0682    0.3865    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.6713    0.2194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2775   -0.5853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662   -0.6884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9343    1.8865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2022    0.8865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2022    1.8865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6567   -1.4141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7027   -1.6273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3083    0.3518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0714   -2.3629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3083    2.4212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1013   -2.4702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4022    0.8657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4022    1.9073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3812   -0.1140    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2078   -0.0914    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0367    0.7203    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5449    1.7788    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1463    2.4691    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0408   -1.3427    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3372    1.0765    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3200   -1.6845    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3154   -0.2681    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8665    0.5536    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7317   -3.7373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7865    3.7373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1292   -3.4437    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.1027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  7  1  1  6  0  0  0
  1 29  1  0  0  0  0
  2 12  1  0  0  0  0
  2 14  1  0  0  0  0
  3 18  1  0  0  0  0
  3 33  1  0  0  0  0
  4 19  1  0  0  0  0
  4 34  1  0  0  0  0
  5 20  1  0  0  0  0
  5 35  1  0  0  0  0
  6 22  1  0  0  0  0
  6 36  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 12  1  0  0  0  0
  8 10  1  0  0  0  0
  8 13  1  0  0  0  0
  8 23  1  6  0  0  0
  9 11  1  0  0  0  0
  9 24  1  0  0  0  0
  9 25  1  0  0  0  0
 10 11  1  0  0  0  0
 10 15  2  0  0  0  0
 11 16  2  0  0  0  0
 12 26  1  0  0  0  0
 12 27  1  0  0  0  0
 13 14  2  0  0  0  0
 13 17  1  0  0  0  0
 14 19  1  0  0  0  0
 15 18  1  0  0  0  0
 15 28  1  0  0  0  0
 16 20  1  0  0  0  0
 16 30  1  0  0  0  0
 17 21  2  0  0  0  0
 17 31  1  0  0  0  0
 18 20  2  0  0  0  0
 19 22  2  0  0  0  0
 21 22  1  0  0  0  0
 21 32  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
320930

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
444

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
5

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB4OAAAAAAAAAAAAAAAAAAAAYAAAAA0YIAAAAAAAGiRQAAAGgAACAAADUSgmAIwBoAABgCAAiBCAAACCAAgIAAIiAAGiIgNJyKGMRqCeCOlwBULuAfA4PwOoAABCAAYQABAAAIQADCAAYAADAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(6aR,11bS)-7,11b-dihydro-6H-indeno[2,1-c]chromene-3,4,6a,9,10-pentol

> <PUBCHEM_IUPAC_CAS_NAME>
(6aR,11bS)-7,11b-dihydro-6H-indeno[2,1-c][1]benzopyran-3,4,6a,9,10-pentol

> <PUBCHEM_IUPAC_NAME_MARKUP>
(6<I>a</I><I>R</I>,11<I>b</I><I>S</I>)-7,11<I>b</I>-dihydro-6<I>H</I>-indeno[2,1-c]chromene-3,4,6<I>a</I>,9,10-pentol

> <PUBCHEM_IUPAC_NAME>
(6aR,11bS)-7,11b-dihydro-6H-indeno[2,1-c]chromene-3,4,6a,9,10-pentol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(6aR,11bS)-7,11b-dihydro-6H-indeno[2,1-c]chromene-3,4,6a,9,10-pentol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(6aR,11bS)-7,11b-dihydro-6H-indeno[2,1-c]chromene-3,4,6a,9,10-pentol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C16H14O6/c17-10-2-1-8-13-9-4-12(19)11(18)3-7(9)5-16(13,21)6-22-15(8)14(10)20/h1-4,13,17-21H,5-6H2/t13-,16+/m1/s1

> <PUBCHEM_IUPAC_INCHIKEY>
WZUVPPKBWHMQCE-CJNGLKHVSA-N

> <PUBCHEM_XLOGP3_AA>
1.2

> <PUBCHEM_EXACT_MASS>
302.07903816

> <PUBCHEM_MOLECULAR_FORMULA>
C16H14O6

> <PUBCHEM_MOLECULAR_WEIGHT>
302.28

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1C2=CC(=C(C=C2C3C1(COC4=C3C=CC(=C4O)O)O)O)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1C2=CC(=C(C=C2[C@@H]3[C@]1(COC4=C3C=CC(=C4O)O)O)O)O

> <PUBCHEM_CACTVS_TPSA>
110

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
302.07903816

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
22

> <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>
7  1  6
10  11  8
10  15  8
11  16  8
13  14  8
13  17  8
14  19  8
15  18  8
16  20  8
17  21  8
18  20  8
19  22  8
21  22  8
8  23  6

$$$$