288122
  -OEChem-10112120542D

 55 57  0     1  0  0  0  0  0999 V2000
    8.9965    2.7986    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7783    1.7882    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2482    0.7640    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8641   -1.7811    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6380   -2.8052    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3821    1.2640    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    5.5161    1.7640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2482    1.7640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6501    1.2640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1142    1.2640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6501    0.2640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1142    0.2640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2482   -0.2360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5161   -0.2360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3821    0.2640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0081    1.7987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5161    0.7639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7401   -0.2428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0081   -0.2707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5322   -1.2775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9142    1.2848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.2844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9142    0.2432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6341   -1.8052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8567    3.3086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6462    1.2915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.2778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7739   -3.3086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9146    2.2390    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1176    2.2390    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6467    2.2390    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8496    2.2390    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4380    1.8466    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0395    1.1563    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8496   -0.7109    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6467   -0.7109    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2061    1.3008    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9792    0.4539    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8262    0.2270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2068    0.0733    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0009   -0.8906    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0726   -1.5813    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4499   -0.0689    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1729    2.7753    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3901    3.6248    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5406    3.8419    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3383    0.7534    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1843    0.9836    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9541    1.8296    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3121   -0.7420    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643   -0.9657    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6879   -1.8135    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4618   -2.7728    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2381   -3.6206    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0860   -3.8443    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  1  0  0  0  0
  1 25  1  0  0  0  0
  2 21  1  0  0  0  0
  2 26  1  0  0  0  0
  3 15  2  0  0  0  0
  4 22  1  0  0  0  0
  4 27  1  0  0  0  0
  5 24  1  0  0  0  0
  5 28  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 17  1  0  0  0  0
  7  9  1  0  0  0  0
  7 29  1  0  0  0  0
  7 30  1  0  0  0  0
  8 10  1  0  0  0  0
  8 31  1  0  0  0  0
  8 32  1  0  0  0  0
  9 11  1  0  0  0  0
  9 33  1  0  0  0  0
  9 34  1  0  0  0  0
 10 12  2  0  0  0  0
 10 16  1  0  0  0  0
 11 14  1  0  0  0  0
 11 18  2  0  0  0  0
 12 13  1  0  0  0  0
 12 19  1  0  0  0  0
 13 15  1  0  0  0  0
 13 35  1  0  0  0  0
 13 36  1  0  0  0  0
 14 15  1  0  0  0  0
 14 20  2  0  0  0  0
 16 21  2  0  0  0  0
 17 37  1  0  0  0  0
 17 38  1  0  0  0  0
 17 39  1  0  0  0  0
 18 22  1  0  0  0  0
 18 40  1  0  0  0  0
 19 23  2  0  0  0  0
 19 41  1  0  0  0  0
 20 24  1  0  0  0  0
 20 42  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23 43  1  0  0  0  0
 25 44  1  0  0  0  0
 25 45  1  0  0  0  0
 25 46  1  0  0  0  0
 26 47  1  0  0  0  0
 26 48  1  0  0  0  0
 26 49  1  0  0  0  0
 27 50  1  0  0  0  0
 27 51  1  0  0  0  0
 27 52  1  0  0  0  0
 28 53  1  0  0  0  0
 28 54  1  0  0  0  0
 28 55  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
288122

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
515

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB6OAAAAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAACxQAAAHgAAAAAADATBmAYyBoMABACIAqBSAACCCAAkIAAIiAEOjMgNJjKEtRuEMSpmwBGKqYe63fLOoAABAAAYQABAAAIAADCAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
3,4,10,11-tetramethoxy-6-methyl-5,7,8,14-tetrahydrobenzo[e][2]benzazecin-13-one

> <PUBCHEM_IUPAC_CAS_NAME>
3,4,10,11-tetramethoxy-6-methyl-5,7,8,14-tetrahydrobenzo[e][2]benzazecin-13-one

> <PUBCHEM_IUPAC_NAME_MARKUP>
3,4,10,11-tetramethoxy-6-methyl-5,7,8,14-tetrahydrobenzo[e][2]benzazecin-13-one

> <PUBCHEM_IUPAC_NAME>
3,4,10,11-tetramethoxy-6-methyl-5,7,8,14-tetrahydrobenzo[e][2]benzazecin-13-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
3,4,10,11-tetramethoxy-6-methyl-5,7,8,14-tetrahydrobenzo[e][2]benzazecin-13-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
3,4,10,11-tetramethoxy-6-methyl-5,7,8,14-tetrahydrobenzo[e][2]benzazecin-13-one

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C22H27NO5/c1-23-9-8-15-11-20(26-3)21(27-4)12-16(15)18(24)10-14-6-7-19(25-2)22(28-5)17(14)13-23/h6-7,11-12H,8-10,13H2,1-5H3

> <PUBCHEM_IUPAC_INCHIKEY>
HUIJAZQRYSCNED-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3

> <PUBCHEM_EXACT_MASS>
385.18892296

> <PUBCHEM_MOLECULAR_FORMULA>
C22H27NO5

> <PUBCHEM_MOLECULAR_WEIGHT>
385.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
CN1CCC2=CC(=C(C=C2C(=O)CC3=C(C1)C(=C(C=C3)OC)OC)OC)OC

> <PUBCHEM_OPENEYE_ISO_SMILES>
CN1CCC2=CC(=C(C=C2C(=O)CC3=C(C1)C(=C(C=C3)OC)OC)OC)OC

> <PUBCHEM_CACTVS_TPSA>
57.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
385.18892296

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
28

> <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>
2

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  12  8
10  16  8
11  14  8
11  18  8
12  19  8
14  20  8
16  21  8
18  22  8
19  23  8
20  24  8
21  23  8
22  24  8

$$$$
