73384
  -OEChem-05122406272D

 35 38  0     1  0  0  0  0  0999 V2000
    7.8003    2.0446    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0682    3.0446    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4812   -2.5121    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5123   -2.7238    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5381    3.0687    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9343    1.5446    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0682    1.0446    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.6713    0.8775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2775    0.0727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662   -0.0303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9343    2.5446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2022    1.5446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2022    2.5446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6567   -0.7560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7027   -0.9693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3083    1.0099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0714   -1.7048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1013   -1.8122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3083    3.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4022    1.5238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4022    2.5654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3812    0.5441    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2078    0.5667    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0367    1.3783    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5449    2.4369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1463    3.1272    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0408   -0.6846    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3372    1.7346    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3200   -1.0264    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3154    0.3899    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3154    3.6992    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8665    1.2117    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7317   -3.0792    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1292   -2.7857    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.7608    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  6  1  1  1  0  0  0
  1 28  1  0  0  0  0
  2 11  1  0  0  0  0
  2 13  1  0  0  0  0
  3 17  1  0  0  0  0
  3 33  1  0  0  0  0
  4 18  1  0  0  0  0
  4 34  1  0  0  0  0
  5 21  1  0  0  0  0
  5 35  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 11  1  0  0  0  0
  7  9  1  0  0  0  0
  7 12  1  0  0  0  0
  7 22  1  1  0  0  0
  8 10  1  0  0  0  0
  8 23  1  0  0  0  0
  8 24  1  0  0  0  0
  9 10  1  0  0  0  0
  9 14  2  0  0  0  0
 10 15  2  0  0  0  0
 11 25  1  0  0  0  0
 11 26  1  0  0  0  0
 12 13  2  0  0  0  0
 12 16  1  0  0  0  0
 13 19  1  0  0  0  0
 14 17  1  0  0  0  0
 14 27  1  0  0  0  0
 15 18  1  0  0  0  0
 15 29  1  0  0  0  0
 16 20  2  0  0  0  0
 16 30  1  0  0  0  0
 17 18  2  0  0  0  0
 19 21  2  0  0  0  0
 19 31  1  0  0  0  0
 20 21  1  0  0  0  0
 20 32  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
73384

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
416

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
4

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB4OAAAAAAAAAAAAAAAAAAAAYAAAAA0YIAAAAAAAGiRQAAAGgAACAAADUSgmAIwBoAABgCAAiBCAAACCAAgIAAIiAAGiIgNJyKGMRqCeCGlwBULuAfA4PwOoAABCAAYQABAAAIQADCAAYAADAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(6aS,11bR)-7,11b-dihydro-6H-indeno[2,1-c]chromene-3,6a,9,10-tetrol

> <PUBCHEM_IUPAC_CAS_NAME>
(6aS,11bR)-7,11b-dihydro-6H-indeno[2,1-c][1]benzopyran-3,6a,9,10-tetrol

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

> <PUBCHEM_IUPAC_NAME>
(6aS,11bR)-7,11b-dihydro-6H-indeno[2,1-c]chromene-3,6a,9,10-tetrol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(6aS,11bR)-7,11b-dihydro-6H-indeno[2,1-c]chromene-3,6a,9,10-tetrol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(6aS,11bR)-7,11b-dihydro-6H-indeno[2,1-c]chromene-3,6a,9,10-tetrol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C16H14O5/c17-9-1-2-10-14(4-9)21-7-16(20)6-8-3-12(18)13(19)5-11(8)15(10)16/h1-5,15,17-20H,6-7H2/t15-,16+/m0/s1

> <PUBCHEM_IUPAC_INCHIKEY>
UWHUTZOCTZJUKC-JKSUJKDBSA-N

> <PUBCHEM_XLOGP3_AA>
1.5

> <PUBCHEM_EXACT_MASS>
286.08412354

> <PUBCHEM_MOLECULAR_FORMULA>
C16H14O5

> <PUBCHEM_MOLECULAR_WEIGHT>
286.28

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1C2=CC(=C(C=C2C3C1(COC4=C3C=CC(=C4)O)O)O)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1C2=CC(=C(C=C2[C@H]3[C@@]1(COC4=C3C=CC(=C4)O)O)O)O

> <PUBCHEM_CACTVS_TPSA>
90.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
286.08412354

> <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>
6  1  5
10  15  8
12  13  8
12  16  8
13  19  8
14  17  8
15  18  8
16  20  8
17  18  8
19  21  8
20  21  8
7  22  5
9  10  8
9  14  8

$$$$