73416
  -OEChem-05142407252D

 46 48  0     1  0  0  0  0  0999 V2000
    6.0037   -1.0019    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5357   -0.0152    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2755   -2.0085    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7854   -2.0123    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3460   -0.7824    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5338    2.0223    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5338   -0.9777    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4037   -0.5119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2716   -1.0085    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.1357   -0.5052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9070   -1.3798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9003    0.3561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8678   -0.4985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6678    0.5223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6678   -0.4777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7738   -1.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5338    1.0223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3998    0.5223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8678    0.5431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7738    1.0570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3998   -0.4777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3460    0.8270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9296    0.0223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9252   -2.5223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3998    2.5223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8098   -1.3165    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5324   -0.0287    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7354   -0.0318    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3689   -1.0719    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5991   -1.9180    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4452   -1.6878    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4385    0.0481    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2083    0.8942    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3622    0.6640    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.3273    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7398   -2.3206    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3320    0.8552    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7810    1.6769    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5386    1.4163    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5496    0.0223    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6090   -1.9890    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3919   -2.8385    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2414   -3.0556    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7098    1.9854    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9368    2.8323    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0898    3.0592    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 13  1  0  0  0  0
  2  8  1  0  0  0  0
  2 35  1  0  0  0  0
  3  9  1  0  0  0  0
  3 36  1  0  0  0  0
  4 16  1  0  0  0  0
  4 24  1  0  0  0  0
  5 21  1  0  0  0  0
  5 23  1  0  0  0  0
  6 17  1  0  0  0  0
  6 25  1  0  0  0  0
  7 15  1  0  0  0  0
  7 21  2  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  8 12  1  0  0  0  0
  9 10  1  0  0  0  0
  9 26  1  0  0  0  0
 10 27  1  0  0  0  0
 10 28  1  0  0  0  0
 11 29  1  0  0  0  0
 11 30  1  0  0  0  0
 11 31  1  0  0  0  0
 12 32  1  0  0  0  0
 12 33  1  0  0  0  0
 12 34  1  0  0  0  0
 13 16  2  0  0  0  0
 13 19  1  0  0  0  0
 14 15  2  0  0  0  0
 14 17  1  0  0  0  0
 14 20  1  0  0  0  0
 15 16  1  0  0  0  0
 17 18  2  0  0  0  0
 18 21  1  0  0  0  0
 18 22  1  0  0  0  0
 19 20  2  0  0  0  0
 19 37  1  0  0  0  0
 20 38  1  0  0  0  0
 22 23  2  0  0  0  0
 22 39  1  0  0  0  0
 23 40  1  0  0  0  0
 24 41  1  0  0  0  0
 24 42  1  0  0  0  0
 24 43  1  0  0  0  0
 25 44  1  0  0  0  0
 25 45  1  0  0  0  0
 25 46  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
73416

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
447

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
7

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB6OAAAAAAAAAAAAAAAAAAAASAAAAA8QAAAAAAAAFix/gAAHgAACAAADFyhngIyxvIIFkCoAy1y1ASCiCAtYCAImCEnzNgPN/bEtJuPeWrn5B3b6Yf++f+eIAABAgACUABAAAIEAASgAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1-(4,8-dimethoxyfuro[2,3-b]quinolin-7-yl)oxy-3-methyl-butane-2,3-diol

> <PUBCHEM_IUPAC_CAS_NAME>
1-[(4,8-dimethoxy-7-furo[2,3-b]quinolinyl)oxy]-3-methylbutane-2,3-diol

> <PUBCHEM_IUPAC_NAME_MARKUP>
1-(4,8-dimethoxyfuro[2,3-b]quinolin-7-yl)oxy-3-methylbutane-2,3-diol

> <PUBCHEM_IUPAC_NAME>
1-(4,8-dimethoxyfuro[2,3-b]quinolin-7-yl)oxy-3-methylbutane-2,3-diol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1-(4,8-dimethoxyfuro[2,3-b]quinolin-7-yl)oxy-3-methyl-butane-2,3-diol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1-(4,8-dimethoxyfuro[2,3-b]quinolin-7-yl)oxy-3-methyl-butane-2,3-diol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C18H21NO6/c1-18(2,21)13(20)9-25-12-6-5-10-14(16(12)23-4)19-17-11(7-8-24-17)15(10)22-3/h5-8,13,20-21H,9H2,1-4H3

> <PUBCHEM_IUPAC_INCHIKEY>
FGANMDNHTVJAHL-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.2

> <PUBCHEM_EXACT_MASS>
347.13688739

> <PUBCHEM_MOLECULAR_FORMULA>
C18H21NO6

> <PUBCHEM_MOLECULAR_WEIGHT>
347.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(C)(C(COC1=C(C2=C(C=C1)C(=C3C=COC3=N2)OC)OC)O)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(C)(C(COC1=C(C2=C(C=C1)C(=C3C=COC3=N2)OC)OC)O)O

> <PUBCHEM_CACTVS_TPSA>
94.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
347.13688739

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
25

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <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>
13  16  8
13  19  8
14  15  8
14  17  8
14  20  8
15  16  8
17  18  8
18  21  8
18  22  8
19  20  8
22  23  8
9  3  3
5  21  8
5  23  8
7  15  8
7  21  8

$$$$