197775
  -OEChem-05062402452D

 49 54  0     1  0  0  0  0  0999 V2000
    6.2268   -0.6037    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0043   -2.1940    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0607   -2.4316    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6340   -1.6740    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7792   -0.0820    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4061    1.5524    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4442    1.8425    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    7.2216    0.8676    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3207    0.4337    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.0912    0.2942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4197    0.8676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8207    2.6244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0214   -0.7451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8207    2.6244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1972    1.8425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0829   -1.1971    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.0576    0.7874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4191    2.0651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9131   -1.3632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6672    0.1474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2067    2.1649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8907   -0.8924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6695    0.4468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9634    0.1901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4377    1.4623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1221   -2.6233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.5999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1017   -2.6244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0105    1.1842    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5813    0.0144    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3793    2.8934    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6827    3.2288    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9586    3.2288    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2621    2.8934    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5228   -1.4628    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0920    1.4065    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5570    1.4606    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0236    2.2030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2811    2.6695    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8121   -0.4554    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0757    2.7709    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5189    0.4656    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9484   -3.2185    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6957   -2.8586    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4584    0.9017    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6430    0.0931    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8348   -2.0647    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5421   -2.8912    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3686   -3.1840    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 16  1  0  0  0  0
 16  2  1  1  0  0  0
  2 28  1  0  0  0  0
  3 19  1  0  0  0  0
  3 26  1  0  0  0  0
  4 22  1  0  0  0  0
  4 26  1  0  0  0  0
  5 23  1  0  0  0  0
  5 27  1  0  0  0  0
  6 25  1  0  0  0  0
  6 27  1  0  0  0  0
  7  8  1  0  0  0  0
  7 12  1  0  0  0  0
  7 18  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 29  1  1  0  0  0
  9 11  1  0  0  0  0
  9 30  1  1  0  0  0
 10 13  2  0  0  0  0
 10 17  1  0  0  0  0
 11 15  1  0  0  0  0
 11 20  2  0  0  0  0
 12 14  1  0  0  0  0
 12 31  1  0  0  0  0
 12 32  1  0  0  0  0
 13 16  1  0  0  0  0
 13 19  1  0  0  0  0
 14 15  1  0  0  0  0
 14 33  1  0  0  0  0
 14 34  1  0  0  0  0
 15 21  2  0  0  0  0
 16 35  1  0  0  0  0
 17 24  2  0  0  0  0
 17 36  1  0  0  0  0
 18 37  1  0  0  0  0
 18 38  1  0  0  0  0
 18 39  1  0  0  0  0
 19 22  2  0  0  0  0
 20 23  1  0  0  0  0
 20 40  1  0  0  0  0
 21 25  1  0  0  0  0
 21 41  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  2  0  0  0  0
 24 42  1  0  0  0  0
 26 43  1  0  0  0  0
 26 44  1  0  0  0  0
 27 45  1  0  0  0  0
 27 46  1  0  0  0  0
 28 47  1  0  0  0  0
 28 48  1  0  0  0  0
 28 49  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
197775

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
591

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
7

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB6OAAAAAAAAAAAAAAAAAAAASJAAAA0YIAABYAAAEiRQAAAHgAAAAAADDzxmAcyDoMABACAAiBCAACCCAAgIAAIiAAOjIgfJyKEsRunMCplwBGeqAfw8P8OoAABAAAYQABAAAIAADCAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(1R,14R,24S)-24-methoxy-13-methyl-5,7,19,21,25-pentaoxa-13-azahexacyclo[12.11.0.02,10.04,8.015,23.018,22]pentacosa-2,4(8),9,15(23),16,18(22)-hexaene

> <PUBCHEM_IUPAC_CAS_NAME>
(1R,14R,24S)-24-methoxy-13-methyl-5,7,19,21,25-pentaoxa-13-azahexacyclo[12.11.0.02,10.04,8.015,23.018,22]pentacosa-2,4(8),9,15(23),16,18(22)-hexaene

> <PUBCHEM_IUPAC_NAME_MARKUP>
(1<I>R</I>,14<I>R</I>,24<I>S</I>)-24-methoxy-13-methyl-5,7,19,21,25-pentaoxa-13-azahexacyclo[12.11.0.0<SUP>2,10</SUP>.0<SUP>4,8</SUP>.0<SUP>15,23</SUP>.0<SUP>18,22</SUP>]pentacosa-2,4(8),9,15(23),16,18(22)-hexaene

> <PUBCHEM_IUPAC_NAME>
(1R,14R,24S)-24-methoxy-13-methyl-5,7,19,21,25-pentaoxa-13-azahexacyclo[12.11.0.02,10.04,8.015,23.018,22]pentacosa-2,4(8),9,15(23),16,18(22)-hexaene

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(1R,14R,24S)-24-methoxy-13-methyl-5,7,19,21,25-pentaoxa-13-azahexacyclo[12.11.0.02,10.04,8.015,23.018,22]pentacosa-2,4(8),9,15(23),16,18(22)-hexaene

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(1R,14R,24S)-24-methoxy-13-methyl-5,7,19,21,25-pentaoxa-13-azahexacyclo[12.11.0.02,10.04,8.015,23.018,22]pentacosa-2,4(8),9,15(23),16,18(22)-hexaene

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C21H21NO6/c1-22-6-5-11-7-15-16(26-9-25-15)8-13(11)19-18(22)12-3-4-14-20(27-10-24-14)17(12)21(23-2)28-19/h3-4,7-8,18-19,21H,5-6,9-10H2,1-2H3/t18-,19-,21+/m1/s1

> <PUBCHEM_IUPAC_INCHIKEY>
XRBIHOLQAKITPP-SBHAEUEKSA-N

> <PUBCHEM_XLOGP3_AA>
2.4

> <PUBCHEM_EXACT_MASS>
383.13688739

> <PUBCHEM_MOLECULAR_FORMULA>
C21H21NO6

> <PUBCHEM_MOLECULAR_WEIGHT>
383.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CN1CCC2=CC3=C(C=C2C4C1C5=C(C(O4)OC)C6=C(C=C5)OCO6)OCO3

> <PUBCHEM_OPENEYE_ISO_SMILES>
CN1CCC2=CC3=C(C=C2[C@@H]4[C@H]1C5=C([C@H](O4)OC)C6=C(C=C5)OCO6)OCO3

> <PUBCHEM_CACTVS_TPSA>
58.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
383.13688739

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
28

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
3

> <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>
10  13  8
10  17  8
11  15  8
11  20  8
13  19  8
15  21  8
17  24  8
19  22  8
16  2  5
20  23  8
21  25  8
22  24  8
23  25  8
8  29  5
9  30  5

$$$$