72682402
  -OEChem-04242400162D

 76 77  0     1  0  0  0  0  0999 V2000
    2.0000    1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    6.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.0000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.8660    0.5000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.8660    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.5000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.5981    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.0000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.5981    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -5.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800    2.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5560   -0.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646    2.9750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675    2.9750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441    0.4174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426    1.1077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880    3.5826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894    2.8923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0656   -0.4749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8626   -0.4749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    2.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    3.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2181    1.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9781    1.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    4.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6592   -1.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    0.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1996    4.0250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9966    4.0250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    3.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    4.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5252   -2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932    3.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0841    6.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    6.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8441    6.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   -2.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3913   -4.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312   -4.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1836   -5.3923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5822   -6.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3503   -6.5369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972   -6.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9703   -5.4631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1  9  1  0  0  0  0
  2 17  1  0  0  0  0
  2 24  1  0  0  0  0
  3 20  1  0  0  0  0
  3 59  1  0  0  0  0
  4 23  2  0  0  0  0
  5 24  2  0  0  0  0
  6 26  2  0  0  0  0
  7 20  1  0  0  0  0
  7 26  1  0  0  0  0
  7 58  1  0  0  0  0
  8 10  1  0  0  0  0
  8 13  1  0  0  0  0
  8 38  1  0  0  0  0
  9 11  1  0  0  0  0
  9 14  1  0  0  0  0
  9 39  1  0  0  0  0
 10 12  1  0  0  0  0
 10 40  1  0  0  0  0
 10 41  1  0  0  0  0
 11 12  1  0  0  0  0
 11 42  1  0  0  0  0
 11 43  1  0  0  0  0
 12 18  2  0  0  0  0
 13 19  1  0  0  0  0
 13 44  1  0  0  0  0
 13 45  1  0  0  0  0
 14 15  2  3  0  0  0
 14 46  1  0  0  0  0
 15 16  1  0  0  0  0
 15 21  1  0  0  0  0
 16 17  1  0  0  0  0
 16 47  1  0  0  0  0
 16 48  1  0  0  0  0
 17 20  1  0  0  0  0
 17 49  1  0  0  0  0
 18 50  1  0  0  0  0
 18 51  1  0  0  0  0
 19 22  2  3  0  0  0
 19 52  1  0  0  0  0
 20 53  1  0  0  0  0
 21 54  1  0  0  0  0
 21 55  1  0  0  0  0
 21 56  1  0  0  0  0
 22 23  1  0  0  0  0
 22 57  1  0  0  0  0
 23 25  1  0  0  0  0
 24 28  1  0  0  0  0
 25 27  1  0  0  0  0
 25 60  1  0  0  0  0
 25 61  1  0  0  0  0
 26 30  1  0  0  0  0
 27 29  2  3  0  0  0
 27 32  1  0  0  0  0
 28 31  2  3  0  0  0
 28 62  1  0  0  0  0
 29 31  1  0  0  0  0
 29 63  1  0  0  0  0
 30 33  2  3  0  0  0
 30 64  1  0  0  0  0
 31 65  1  0  0  0  0
 32 66  1  0  0  0  0
 32 67  1  0  0  0  0
 32 68  1  0  0  0  0
 33 34  1  0  0  0  0
 33 69  1  0  0  0  0
 34 35  2  3  0  0  0
 34 70  1  0  0  0  0
 35 36  1  0  0  0  0
 35 71  1  0  0  0  0
 36 37  1  0  0  0  0
 36 72  1  0  0  0  0
 36 73  1  0  0  0  0
 37 74  1  0  0  0  0
 37 75  1  0  0  0  0
 37 76  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
72682402

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
1010

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB6OAAAAAAAAAAAAAAAAAAAAAAAAAAkAAAAAAAAAAAAAAAAHgAQCAAADBThgAYCCALABgCIAqHSGACAAAAgAAAICIEIAEkLFBIAoQAHUAAE1gCboYOQwKAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-[(3,11-dimethyl-19-methylene-7,13-dioxo-6,21-dioxabicyclo[15.3.1]henicosa-2,8,10,14-tetraen-5-yl)-hydroxy-methyl]hepta-2,4-dienamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-[(3,11-dimethyl-19-methylene-7,13-dioxo-6,21-dioxabicyclo[15.3.1]heneicosa-2,8,10,14-tetraen-5-yl)-hydroxymethyl]hepta-2,4-dienamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-[(3,11-dimethyl-19-methylidene-7,13-dioxo-6,21-dioxabicyclo[15.3.1]henicosa-2,8,10,14-tetraen-5-yl)-hydroxymethyl]hepta-2,4-dienamide

> <PUBCHEM_IUPAC_NAME>
N-[(3,11-dimethyl-19-methylidene-7,13-dioxo-6,21-dioxabicyclo[15.3.1]henicosa-2,8,10,14-tetraen-5-yl)-hydroxymethyl]hepta-2,4-dienamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[[3,11-dimethyl-19-methylidene-7,13-bis(oxidanylidene)-6,21-dioxabicyclo[15.3.1]henicosa-2,8,10,14-tetraen-5-yl]-oxidanyl-methyl]hepta-2,4-dienamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-[(7,13-diketo-3,11-dimethyl-19-methylene-6,21-dioxabicyclo[15.3.1]heneicosa-2,8,10,14-tetraen-5-yl)-hydroxy-methyl]hepta-2,4-dienamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C30H39NO6/c1-5-6-7-8-14-28(33)31-30(35)27-20-23(4)19-26-18-22(3)17-25(36-26)13-10-12-24(32)16-21(2)11-9-15-29(34)37-27/h6-12,14-15,19,25-27,30,35H,3,5,13,16-18,20H2,1-2,4H3,(H,31,33)

> <PUBCHEM_IUPAC_INCHIKEY>
XWIDFNLTKFGROG-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.9

> <PUBCHEM_EXACT_MASS>
509.27773796

> <PUBCHEM_MOLECULAR_FORMULA>
C30H39NO6

> <PUBCHEM_MOLECULAR_WEIGHT>
509.6

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCC=CC=CC(=O)NC(C1CC(=CC2CC(=C)CC(O2)CC=CC(=O)CC(=CC=CC(=O)O1)C)C)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCC=CC=CC(=O)NC(C1CC(=CC2CC(=C)CC(O2)CC=CC(=O)CC(=CC=CC(=O)O1)C)C)O

> <PUBCHEM_CACTVS_TPSA>
102

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
509.27773796

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
37

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
4

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
6

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
14  15  1
17  16  3
19  22  1
27  29  1
28  31  1
20  3  3
30  33  1
34  35  1
8  13  3
9  11  3

$$$$