454895
  -OEChem-05132412002D

 36 40  0     1  0  0  0  0  0999 V2000
    6.2719   -0.7339    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4811    2.2379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2123   -0.7507    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8914   -2.2725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0112    2.2620    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6151    0.7379    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.4811    0.2379    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8780    0.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6151    1.7379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3471    0.7379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2832   -0.8370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3471    1.7379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8499    0.1940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6882   -1.6845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2410    0.2032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2356   -0.6395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6576   -1.5851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2410    2.2725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1471    0.7171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1471    1.7587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.7579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8792    1.7654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0483    0.9893    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9822   -0.1272    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4030    2.3205    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0045    1.6302    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6038    0.7631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9474   -2.2477    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2339   -0.4167    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2339    2.8925    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6828    0.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4101   -1.5670    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7482   -2.3244    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5712    1.2272    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4173    1.4574    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1871    2.3035    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 11  1  0  0  0  0
  2  9  1  0  0  0  0
  2 12  1  0  0  0  0
  3 16  1  0  0  0  0
  3 21  1  0  0  0  0
  4 17  1  0  0  0  0
  4 21  1  0  0  0  0
  5 20  1  0  0  0  0
  5 22  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 23  1  0  0  0  0
  7 10  1  0  0  0  0
  7 24  1  0  0  0  0
  8 11  1  0  0  0  0
  8 13  2  0  0  0  0
  9 25  1  0  0  0  0
  9 26  1  0  0  0  0
 10 12  2  0  0  0  0
 10 15  1  0  0  0  0
 11 14  2  0  0  0  0
 12 18  1  0  0  0  0
 13 16  1  0  0  0  0
 13 27  1  0  0  0  0
 14 17  1  0  0  0  0
 14 28  1  0  0  0  0
 15 19  2  0  0  0  0
 15 29  1  0  0  0  0
 16 17  2  0  0  0  0
 18 20  2  0  0  0  0
 18 30  1  0  0  0  0
 19 20  1  0  0  0  0
 19 31  1  0  0  0  0
 21 32  1  0  0  0  0
 21 33  1  0  0  0  0
 22 34  1  0  0  0  0
 22 35  1  0  0  0  0
 22 36  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
454895

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
429

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB4OAAAAAAAAAAAAAAAAAAAASJAAAA0YIAAAAAAAEiRQAAAGgAAAAAADRSgmAMyDoAABACAAiBCAAACCAAgIAAIiAAGiIgdJyKEMRqiOCKlwBUOqAfA4PwOoQABCAAIQABCAAIQABCAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
16-methoxy-5,7,11,19-tetraoxapentacyclo[10.8.0.02,10.04,8.013,18]icosa-2,4(8),9,13(18),14,16-hexaene

> <PUBCHEM_IUPAC_CAS_NAME>
16-methoxy-5,7,11,19-tetraoxapentacyclo[10.8.0.02,10.04,8.013,18]eicosa-2,4(8),9,13(18),14,16-hexaene

> <PUBCHEM_IUPAC_NAME_MARKUP>
16-methoxy-5,7,11,19-tetraoxapentacyclo[10.8.0.0<SUP>2,10</SUP>.0<SUP>4,8</SUP>.0<SUP>13,18</SUP>]icosa-2,4(8),9,13(18),14,16-hexaene

> <PUBCHEM_IUPAC_NAME>
16-methoxy-5,7,11,19-tetraoxapentacyclo[10.8.0.02,10.04,8.013,18]icosa-2,4(8),9,13(18),14,16-hexaene

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
16-methoxy-5,7,11,19-tetraoxapentacyclo[10.8.0.02,10.04,8.013,18]icosa-2,4(8),9,13(18),14,16-hexaene

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
16-methoxy-5,7,11,19-tetraoxapentacyclo[10.8.0.02,10.04,8.013,18]eicosa-2,4(8),9,13(18),14,16-hexaene

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C17H14O5/c1-18-9-2-3-10-13(4-9)19-7-12-11-5-15-16(21-8-20-15)6-14(11)22-17(10)12/h2-6,12,17H,7-8H2,1H3

> <PUBCHEM_IUPAC_INCHIKEY>
YLZYAUCOYZKLMA-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.8

> <PUBCHEM_EXACT_MASS>
298.08412354

> <PUBCHEM_MOLECULAR_FORMULA>
C17H14O5

> <PUBCHEM_MOLECULAR_WEIGHT>
298.29

> <PUBCHEM_OPENEYE_CAN_SMILES>
COC1=CC2=C(C=C1)C3C(CO2)C4=CC5=C(C=C4O3)OCO5

> <PUBCHEM_OPENEYE_ISO_SMILES>
COC1=CC2=C(C=C1)C3C(CO2)C4=CC5=C(C=C4O3)OCO5

> <PUBCHEM_CACTVS_TPSA>
46.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
298.08412354

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
22

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
2

> <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>
7  1  3
10  12  8
10  15  8
11  14  8
12  18  8
13  16  8
14  17  8
15  19  8
16  17  8
18  20  8
19  20  8
6  9  3
8  11  8
8  13  8

$$$$