5381219
  -OEChem-05032419402D

 44 47  0     0  0  0  0  0  0999 V2000
    6.3405   -0.2574    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0116   -2.8219    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8104   -0.2815    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0726   -0.2574    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7319   -1.8020    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3405    1.7426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3245    2.7841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2225    3.3119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1246    2.7911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2066    1.2426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1166    1.7495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4745    1.2426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5921   -1.2920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4745    0.2426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5806   -0.2920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8602   -1.3120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7435   -2.8019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2066    0.2426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.8220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8833   -3.3119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5806    1.7773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6745    0.2218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6745    1.2634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1064    3.3645    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7153    2.6686    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6198    3.7878    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8215    3.7848    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7346    2.6803    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3381    3.3731    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3211    1.1642    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7282    1.8508    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8109   -1.8721    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2014   -1.1773    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2532   -0.8325    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4562   -0.8417    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9623   -3.3820    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3528   -2.6872    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7812   -1.2419    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3907   -1.9367    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4903   -3.7914    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2873   -3.7822    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5877    2.3972    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1388    1.5755    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2723    0.0264    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0  0  0  0
  1 18  1  0  0  0  0
  2 19  1  0  0  0  0
  2 20  1  0  0  0  0
  3 22  1  0  0  0  0
  3 44  1  0  0  0  0
  4 18  2  0  0  0  0
  5 13  1  0  0  0  0
  5 16  1  0  0  0  0
  5 17  1  0  0  0  0
  6  7  1  0  0  0  0
  6 10  2  0  0  0  0
  6 12  1  0  0  0  0
  7  8  1  0  0  0  0
  7 24  1  0  0  0  0
  7 25  1  0  0  0  0
  8  9  1  0  0  0  0
  8 26  1  0  0  0  0
  8 27  1  0  0  0  0
  9 11  1  0  0  0  0
  9 28  1  0  0  0  0
  9 29  1  0  0  0  0
 10 11  1  0  0  0  0
 10 18  1  0  0  0  0
 11 30  1  0  0  0  0
 11 31  1  0  0  0  0
 12 14  2  0  0  0  0
 12 21  1  0  0  0  0
 13 15  1  0  0  0  0
 13 32  1  0  0  0  0
 13 33  1  0  0  0  0
 14 15  1  0  0  0  0
 15 22  2  0  0  0  0
 16 19  1  0  0  0  0
 16 34  1  0  0  0  0
 16 35  1  0  0  0  0
 17 20  1  0  0  0  0
 17 36  1  0  0  0  0
 17 37  1  0  0  0  0
 19 38  1  0  0  0  0
 19 39  1  0  0  0  0
 20 40  1  0  0  0  0
 20 41  1  0  0  0  0
 21 23  2  0  0  0  0
 21 42  1  0  0  0  0
 22 23  1  0  0  0  0
 23 43  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
5381219

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
497

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB6OAAAAAAAAAAAAAAAAAAAAAAAAAA8QIEAAAAAAACRAAAAHgAACAAADAThmAYwDoMABgCIAiDSCACCCAAgIAAIiAEODMgOJzKGsBuHeijnwBWYuQeY6OyOIAACCAAIAABAAAQQABAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
3-hydroxy-4-(morpholinomethyl)-7,8,9,10-tetrahydrobenzo[c]chromen-6-one

> <PUBCHEM_IUPAC_CAS_NAME>
3-hydroxy-4-(4-morpholinylmethyl)-7,8,9,10-tetrahydrobenzo[c][1]benzopyran-6-one

> <PUBCHEM_IUPAC_NAME_MARKUP>
3-hydroxy-4-(morpholin-4-ylmethyl)-7,8,9,10-tetrahydrobenzo[c]chromen-6-one

> <PUBCHEM_IUPAC_NAME>
3-hydroxy-4-(morpholin-4-ylmethyl)-7,8,9,10-tetrahydrobenzo[c]chromen-6-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
4-(morpholin-4-ylmethyl)-3-oxidanyl-7,8,9,10-tetrahydrobenzo[c]chromen-6-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
3-hydroxy-4-(morpholinomethyl)-7,8,9,10-tetrahydrobenzo[c]chromen-6-one

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C18H21NO4/c20-16-6-5-13-12-3-1-2-4-14(12)18(21)23-17(13)15(16)11-19-7-9-22-10-8-19/h5-6,20H,1-4,7-11H2

> <PUBCHEM_IUPAC_INCHIKEY>
PCZHTJNPPCHGQF-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2

> <PUBCHEM_EXACT_MASS>
315.14705815

> <PUBCHEM_MOLECULAR_FORMULA>
C18H21NO4

> <PUBCHEM_MOLECULAR_WEIGHT>
315.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CCC2=C(C1)C3=C(C(=C(C=C3)O)CN4CCOCC4)OC2=O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CCC2=C(C1)C3=C(C(=C(C=C3)O)CN4CCOCC4)OC2=O

> <PUBCHEM_CACTVS_TPSA>
59

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
315.14705815

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
23

> <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  14  8
1  18  8
10  18  8
12  14  8
12  21  8
14  15  8
15  22  8
21  23  8
22  23  8
6  10  8
6  12  8

$$$$