70399714
  -OEChem-05102405112D

 58 61  0     1  0  0  0  0  0999 V2000
    7.8003    1.9246    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9343   -1.5754    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0502    1.8310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8003   -2.0754    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5504   -1.9818    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5487   -2.1100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2702   -1.0995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2702    0.9488    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3859   -2.1530    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3984    0.3971    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0519    1.9592    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5381   -1.1062    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9343    0.4246    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.6663    0.4246    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.8003    0.9246    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.9343   -0.5754    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.5603    0.9593    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.0403    0.9593    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.6663   -0.5754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8003   -1.0754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0403   -1.1100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4663    0.4455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1343    0.4455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5603   -1.1100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0503    1.8195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4663   -0.5962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1343   -0.5962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3975    1.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1917    2.4692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9236    2.4492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3975   -1.1531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3413    0.4671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3413   -0.6179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4022   -0.6029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9390    1.0446    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2056    0.1188    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3372    1.2346    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5064    1.2745    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5836    2.1357    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7341    2.3528    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5170    1.5033    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3372    2.2346    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6242   -2.1123    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7340    2.3644    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3903    1.6223    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5079    3.0025    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6584    2.7854    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8755    1.9359    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2274    1.9087    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4641    2.7530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6199    2.9897    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9305   -1.9890    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0820   -2.4261    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8770    0.7792    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8770   -0.9299    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9192   -2.4692    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.7983    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5405   -1.7262    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  1 42  1  0  0  0  0
  2 16  1  0  0  0  0
  2 43  1  0  0  0  0
  3 17  1  0  0  0  0
  3 44  1  0  0  0  0
  4 20  2  0  0  0  0
  5 21  1  0  0  0  0
  5 52  1  0  0  0  0
  6 24  1  0  0  0  0
  6 53  1  0  0  0  0
  7 27  1  0  0  0  0
  7 34  1  0  0  0  0
  8 23  2  0  0  0  0
  9 31  1  0  0  0  0
  9 56  1  0  0  0  0
 10 34  2  0  0  0  0
 11 18  1  0  0  0  0
 11 29  1  0  0  0  0
 11 30  1  0  0  0  0
 12 34  1  0  0  0  0
 12 57  1  0  0  0  0
 12 58  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
 13 18  1  0  0  0  0
 13 35  1  0  0  0  0
 14 15  1  0  0  0  0
 14 17  1  0  0  0  0
 14 19  1  0  0  0  0
 14 36  1  0  0  0  0
 15 37  1  0  0  0  0
 16 20  1  0  0  0  0
 16 21  1  0  0  0  0
 17 22  1  0  0  0  0
 17 25  1  0  0  0  0
 18 23  1  0  0  0  0
 18 38  1  0  0  0  0
 19 20  1  0  0  0  0
 19 24  2  0  0  0  0
 21 27  2  0  0  0  0
 22 26  2  0  0  0  0
 22 28  1  0  0  0  0
 23 27  1  0  0  0  0
 24 26  1  0  0  0  0
 25 39  1  0  0  0  0
 25 40  1  0  0  0  0
 25 41  1  0  0  0  0
 26 31  1  0  0  0  0
 28 32  2  0  0  0  0
 28 45  1  0  0  0  0
 29 46  1  0  0  0  0
 29 47  1  0  0  0  0
 29 48  1  0  0  0  0
 30 49  1  0  0  0  0
 30 50  1  0  0  0  0
 30 51  1  0  0  0  0
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 33 55  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
70399714

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
1020

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
11

> <PUBCHEM_CACTVS_HBOND_DONOR>
7

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7PAAAAAAAAAAAAAAAAAAAAAAAAAAwYIEAAAAAAACBAAAAHgAQCAAADXzhmAYyDoNABgCIAqBSGAICCAAgIAAIiAHOCMkJNzaCkTaMcAAn4BEJmQf+/v+ugAABAAAYAADAAAYQADAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
[4-(dimethylamino)-1,5,6,10,11,12a-hexahydroxy-6-methyl-3,12-dioxo-4,4a,5,5a-tetrahydrotetracen-2-yl] carbamate

> <PUBCHEM_IUPAC_CAS_NAME>
carbamic acid [4-(dimethylamino)-1,5,6,10,11,12a-hexahydroxy-6-methyl-3,12-dioxo-4,4a,5,5a-tetrahydrotetracen-2-yl] ester

> <PUBCHEM_IUPAC_NAME_MARKUP>
[4-(dimethylamino)-1,5,6,10,11,12<I>a</I>-hexahydroxy-6-methyl-3,12-dioxo-4,4<I>a</I>,5,5<I>a</I>-tetrahydrotetracen-2-yl] carbamate

> <PUBCHEM_IUPAC_NAME>
[4-(dimethylamino)-1,5,6,10,11,12a-hexahydroxy-6-methyl-3,12-dioxo-4,4a,5,5a-tetrahydrotetracen-2-yl] carbamate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
[4-(dimethylamino)-6-methyl-1,5,6,10,11,12a-hexakis(oxidanyl)-3,12-bis(oxidanylidene)-4,4a,5,5a-tetrahydrotetracen-2-yl] carbamate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
carbamic acid [4-(dimethylamino)-1,5,6,10,11,12a-hexahydroxy-3,12-diketo-6-methyl-4,4a,5,5a-tetrahydrotetracen-2-yl] ester

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C22H24N2O10/c1-21(32)7-5-4-6-8(25)9(7)14(26)10-11(21)15(27)12-13(24(2)3)16(28)17(34-20(23)31)19(30)22(12,33)18(10)29/h4-6,11-13,15,25-27,30,32-33H,1-3H3,(H2,23,31)

> <PUBCHEM_IUPAC_INCHIKEY>
UYDFCEDCAJTYJD-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
-2.4

> <PUBCHEM_EXACT_MASS>
476.14309497

> <PUBCHEM_MOLECULAR_FORMULA>
C22H24N2O10

> <PUBCHEM_MOLECULAR_WEIGHT>
476.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1(C2C(C3C(C(=O)C(=C(C3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)OC(=O)N)N(C)C)O)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1(C2C(C3C(C(=O)C(=C(C3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)OC(=O)N)N(C)C)O)O

> <PUBCHEM_CACTVS_TPSA>
211

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
476.14309497

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
34

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
6

> <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>
15  1  3
18  11  3
13  15  3
14  19  3
16  2  3
22  26  8
22  28  8
26  31  8
28  32  8
17  3  3
31  33  8
32  33  8

$$$$