15051741
  -OEChem-04252406282D

 34 37  0     1  0  0  0  0  0999 V2000
    3.9890    1.4626    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2080   -1.4518    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8894   -1.7677    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4449    1.5738    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3467   -1.7904    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7256    0.4800    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    3.2458   -1.3516    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.4167   -0.7924    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.4668   -0.4859    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.6924    0.1689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7385   -1.2806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1573    0.2823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5156   -0.6512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7908   -2.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5418   -0.8300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8002    1.1019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8303    0.9468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2035   -0.0256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4566    1.7264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8752   -1.9355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5621   -1.8848    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8062   -0.6846    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.3044    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6873    0.7889    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0781    0.2527    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6464   -1.8902    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2708   -2.6169    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3432   -2.5606    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5714    1.6781    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8155   -0.1249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2322    2.3044    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7711   -2.5467    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4864   -2.0396    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9792   -1.3243    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  9  1  0  0  0  0
  2  9  1  0  0  0  0
  2 26  1  0  0  0  0
  3 15  1  0  0  0  0
  3 20  1  0  0  0  0
  4 19  2  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5 23  1  0  0  0  0
  6 10  1  0  0  0  0
  6 12  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 21  1  0  0  0  0
  8 10  1  0  0  0  0
  8 22  1  0  0  0  0
  9 11  1  0  0  0  0
 10 24  1  0  0  0  0
 10 25  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  2  0  0  0  0
 12 13  2  0  0  0  0
 12 16  1  0  0  0  0
 13 15  1  0  0  0  0
 14 27  1  0  0  0  0
 14 28  1  0  0  0  0
 15 18  2  0  0  0  0
 16 17  2  0  0  0  0
 16 29  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 30  1  0  0  0  0
 19 31  1  0  0  0  0
 20 32  1  0  0  0  0
 20 33  1  0  0  0  0
 20 34  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
15051741

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
470

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzOAAAAAAAAAAAAAAAFgAAAAAAAAA8WIAABYAWAACxAAAAHgAUCAAADCzhmAYyzoLQBgCIAixSwACCCAAlIgAgiIEObMgOZjLE9ZuUcShm0BnY+Yf+2POOQAABQgAKAACAAAKEABQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
9-hydroxy-6-methoxy-8-methylene-14-oxa-1,11-diazatetracyclo[7.4.1.02,7.010,12]tetradeca-2(7),3,5-triene-4-carbaldehyde

> <PUBCHEM_IUPAC_CAS_NAME>
9-hydroxy-6-methoxy-8-methylene-14-oxa-1,11-diazatetracyclo[7.4.1.02,7.010,12]tetradeca-2(7),3,5-triene-4-carboxaldehyde

> <PUBCHEM_IUPAC_NAME_MARKUP>
9-hydroxy-6-methoxy-8-methylidene-14-oxa-1,11-diazatetracyclo[7.4.1.0<SUP>2,7</SUP>.0<SUP>10,12</SUP>]tetradeca-2(7),3,5-triene-4-carbaldehyde

> <PUBCHEM_IUPAC_NAME>
9-hydroxy-6-methoxy-8-methylidene-14-oxa-1,11-diazatetracyclo[7.4.1.02,7.010,12]tetradeca-2(7),3,5-triene-4-carbaldehyde

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
6-methoxy-8-methylidene-9-oxidanyl-14-oxa-1,11-diazatetracyclo[7.4.1.02,7.010,12]tetradeca-2(7),3,5-triene-4-carbaldehyde

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
9-hydroxy-6-methoxy-8-methylene-14-oxa-1,11-diazatetracyclo[7.4.1.02,7.010,12]tetradeca-2(7),3,5-triene-4-carbaldehyde

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C14H14N2O4/c1-7-12-10(3-8(6-17)4-11(12)19-2)16-5-9-13(15-9)14(7,18)20-16/h3-4,6,9,13,15,18H,1,5H2,2H3

> <PUBCHEM_IUPAC_INCHIKEY>
QCFGBRIKVOIQOU-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
0

> <PUBCHEM_EXACT_MASS>
274.09535693

> <PUBCHEM_MOLECULAR_FORMULA>
C14H14N2O4

> <PUBCHEM_MOLECULAR_WEIGHT>
274.27

> <PUBCHEM_OPENEYE_CAN_SMILES>
COC1=CC(=CC2=C1C(=C)C3(C4C(N4)CN2O3)O)C=O

> <PUBCHEM_OPENEYE_ISO_SMILES>
COC1=CC(=CC2=C1C(=C)C3(C4C(N4)CN2O3)O)C=O

> <PUBCHEM_CACTVS_TPSA>
80.9

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
274.09535693

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
20

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
3

> <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>
12  13  8
12  16  8
13  15  8
15  18  8
16  17  8
17  18  8
9  2  3
7  5  3
8  10  3

$$$$