11769676
  -OEChem-04232409492D

 28 30  0     1  0  0  0  0  0999 V2000
    6.0251   -0.9480    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5515   -1.7020    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6184   -0.1874    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1154    0.7389    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2494    0.2389    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.0402   -0.7329    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.3834    0.7389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0515   -0.8360    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6464    0.0718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1154    1.7389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2494    2.2389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3834    1.7389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6198   -0.1340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6678    0.2780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.4663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5133   -0.1861    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9930   -1.5816    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3889   -1.3561    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7260    1.6312    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3275    2.3215    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6479    2.7139    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8509    2.7139    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8464    2.0489    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4752    0.8674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8615   -2.2389    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5385   -0.0522    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5859   -0.9277    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4615   -0.8803    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1 13  1  0  0  0  0
  8  2  1  1  0  0  0
  2 25  1  0  0  0  0
  3 13  2  0  0  0  0
  4  5  1  0  0  0  0
  4 10  1  0  0  0  0
  4 13  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 16  1  1  0  0  0
  6  8  1  0  0  0  0
  6 17  1  1  0  0  0
  7  9  1  0  0  0  0
  7 12  2  0  0  0  0
  8  9  1  0  0  0  0
  8 18  1  0  0  0  0
  9 14  2  0  0  0  0
 10 11  1  0  0  0  0
 10 19  1  0  0  0  0
 10 20  1  0  0  0  0
 11 12  1  0  0  0  0
 11 21  1  0  0  0  0
 11 22  1  0  0  0  0
 12 23  1  0  0  0  0
 14 15  1  0  0  0  0
 14 24  1  0  0  0  0
 15 26  1  0  0  0  0
 15 27  1  0  0  0  0
 15 28  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
11769676

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
385

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccByMAAAAAAAAAAAAAAAAAAAAeIAAAAgAAAAAAAWAEAAAAAAHgAACAAADDzhgAYCCAMABgCIAiBCGACAAAAgAAAACAAIAAgLFAIAgQANUAAGxgCbkAKwMAoAAAAAAAAAAAAAAAAAAAAAAAEAACgAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(4S,5S,6Z,11S)-6-ethylidene-5-hydroxy-3-oxa-1-azatricyclo[5.3.1.04,11]undec-7-en-2-one

> <PUBCHEM_IUPAC_CAS_NAME>
(4S,5S,6Z,11S)-6-ethylidene-5-hydroxy-3-oxa-1-azatricyclo[5.3.1.04,11]undec-7-en-2-one

> <PUBCHEM_IUPAC_NAME_MARKUP>
(4<I>S</I>,5<I>S</I>,6<I>Z</I>,11<I>S</I>)-6-ethylidene-5-hydroxy-3-oxa-1-azatricyclo[5.3.1.0<SUP>4,11</SUP>]undec-7-en-2-one

> <PUBCHEM_IUPAC_NAME>
(4S,5S,6Z,11S)-6-ethylidene-5-hydroxy-3-oxa-1-azatricyclo[5.3.1.04,11]undec-7-en-2-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(4S,5S,6Z,11S)-6-ethylidene-5-oxidanyl-3-oxa-1-azatricyclo[5.3.1.04,11]undec-7-en-2-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(4S,5S,6Z,11S)-6-ethylidene-5-hydroxy-3-oxa-1-azatricyclo[5.3.1.04,11]undec-7-en-2-one

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C11H13NO3/c1-2-6-7-4-3-5-12-8(7)10(9(6)13)15-11(12)14/h2,4,8-10,13H,3,5H2,1H3/b6-2-/t8-,9-,10-/m0/s1

> <PUBCHEM_IUPAC_INCHIKEY>
OJIUACOQFBQCDF-IKXJTIOISA-N

> <PUBCHEM_XLOGP3_AA>
-0.2

> <PUBCHEM_EXACT_MASS>
207.08954328

> <PUBCHEM_MOLECULAR_FORMULA>
C11H13NO3

> <PUBCHEM_MOLECULAR_WEIGHT>
207.23

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC=C1C(C2C3C1=CCCN3C(=O)O2)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C/C=C/1\[C@@H]([C@@H]2[C@@H]3C1=CCCN3C(=O)O2)O

> <PUBCHEM_CACTVS_TPSA>
49.8

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
207.08954328

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
15

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
3

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
1

> <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>
8  2  5
5  16  5
6  17  5

$$$$