10227
  -OEChem-10112120532D

 32 34  0     0  0  0  0  0  0999 V2000
    7.3424   -1.0427    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301    1.7621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.7862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.2621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301   -1.2379    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6641    0.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6641   -0.7379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301    0.7621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3961    0.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3961   -0.7379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7702    0.7967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7702   -1.2726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8641    0.2829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8641   -0.7587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3424    0.5668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9260   -0.2379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3961    2.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0038    1.7862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0038   -2.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7773    1.4167    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7773   -1.8926    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5350    1.1561    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5460   -0.2379    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7062    1.7251    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9331    2.5721    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0862    2.7990    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6238    1.7838    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0062    2.4062    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3839    1.7886    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3839   -2.2645    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0062   -2.8821    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6238   -2.2597    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 16  1  0  0  0  0
  2  8  1  0  0  0  0
  2 17  1  0  0  0  0
  3 13  1  0  0  0  0
  3 18  1  0  0  0  0
  4 14  1  0  0  0  0
  4 19  1  0  0  0  0
  5  7  1  0  0  0  0
  5 10  2  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  2  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 15  1  0  0  0  0
 11 13  1  0  0  0  0
 11 20  1  0  0  0  0
 12 14  1  0  0  0  0
 12 21  1  0  0  0  0
 13 14  2  0  0  0  0
 15 16  2  0  0  0  0
 15 22  1  0  0  0  0
 16 23  1  0  0  0  0
 17 24  1  0  0  0  0
 17 25  1  0  0  0  0
 17 26  1  0  0  0  0
 18 27  1  0  0  0  0
 18 28  1  0  0  0  0
 18 29  1  0  0  0  0
 19 30  1  0  0  0  0
 19 31  1  0  0  0  0
 19 32  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
10227

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
314

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccByOAAAAAAAAAAAAAAAAAAAASAAAAA8QAAAAAAAAFix/gAAHgAAAAAADAyhngIyxvIIFECoAy1y1ACCiCAtIiAImCE27NgNJ/bEtJuOOWrn5B3K6Yf++f+eIEABAgACQABAgAIEAASAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
4,6,7-trimethoxyfuro[2,3-b]quinoline

> <PUBCHEM_IUPAC_CAS_NAME>
4,6,7-trimethoxyfuro[2,3-b]quinoline

> <PUBCHEM_IUPAC_NAME_MARKUP>
4,6,7-trimethoxyfuro[2,3-b]quinoline

> <PUBCHEM_IUPAC_NAME>
4,6,7-trimethoxyfuro[2,3-b]quinoline

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
4,6,7-trimethoxyfuro[2,3-b]quinoline

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
4,6,7-trimethoxyfuro[2,3-b]quinoline

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C14H13NO4/c1-16-11-6-9-10(7-12(11)17-2)15-14-8(4-5-19-14)13(9)18-3/h4-7H,1-3H3

> <PUBCHEM_IUPAC_INCHIKEY>
JBRXRVFXQIKPEA-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.6

> <PUBCHEM_EXACT_MASS>
259.08445790

> <PUBCHEM_MOLECULAR_FORMULA>
C14H13NO4

> <PUBCHEM_MOLECULAR_WEIGHT>
259.26

> <PUBCHEM_OPENEYE_CAN_SMILES>
COC1=C(C=C2C(=C1)C(=C3C=COC3=N2)OC)OC

> <PUBCHEM_OPENEYE_ISO_SMILES>
COC1=C(C=C2C(=C1)C(=C3C=COC3=N2)OC)OC

> <PUBCHEM_CACTVS_TPSA>
53.7

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
259.08445790

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
19

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <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>
1  10  8
1  16  8
11  13  8
12  14  8
13  14  8
15  16  8
5  10  8
5  7  8
6  11  8
6  7  8
6  8  8
7  12  8
8  9  8
9  10  8
9  15  8

$$$$
