85625420
  -OEChem-04292400282D

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   10.8148    4.0797    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6704   -3.5761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7724   -4.1039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0447    4.1039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8703   -3.5831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9468    3.5831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0525   -1.0071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7647    1.0071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.8562   -2.3675    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3450   -2.2253    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
> <PUBCHEM_COMPOUND_CID>
85625420

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
700

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
4

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB4OAAAAAAAAAAAAAAAAAAAAAAAAAAwYMGDAAAAAADBVAAAGgAACAAADASAmAIyBsAABgCAAiBCAAACCAAgIAAIiAAGCIgMJyKGMRqAcCAlwBUIuAfA4PwO4AADCAAYAADAAAYQADAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
8-(4,7-dihydroxy-2-methoxy-1-phenanthryl)-7-methoxy-phenanthrene-2,5-diol

> <PUBCHEM_IUPAC_CAS_NAME>
8-(4,7-dihydroxy-2-methoxy-1-phenanthrenyl)-7-methoxyphenanthrene-2,5-diol

> <PUBCHEM_IUPAC_NAME_MARKUP>
8-(4,7-dihydroxy-2-methoxyphenanthren-1-yl)-7-methoxyphenanthrene-2,5-diol

> <PUBCHEM_IUPAC_NAME>
8-(4,7-dihydroxy-2-methoxyphenanthren-1-yl)-7-methoxyphenanthrene-2,5-diol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
7-methoxy-8-[2-methoxy-4,7-bis(oxidanyl)phenanthren-1-yl]phenanthrene-2,5-diol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
8-(4,7-dihydroxy-2-methoxy-1-phenanthryl)-7-methoxy-phenanthrene-2,5-diol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C30H22O6/c1-35-25-13-23(33)27-19-9-5-17(31)11-15(19)3-7-21(27)29(25)30-22-8-4-16-12-18(32)6-10-20(16)28(22)24(34)14-26(30)36-2/h3-14,31-34H,1-2H3

> <PUBCHEM_IUPAC_INCHIKEY>
RBVCTUJCRSUBKB-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
7.1

> <PUBCHEM_EXACT_MASS>
478.14163842

> <PUBCHEM_MOLECULAR_FORMULA>
C30H22O6

> <PUBCHEM_MOLECULAR_WEIGHT>
478.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
COC1=C(C2=C(C3=C(C=C2)C=C(C=C3)O)C(=C1)O)C4=C(C=C(C5=C4C=CC6=C5C=CC(=C6)O)O)OC

> <PUBCHEM_OPENEYE_ISO_SMILES>
COC1=C(C2=C(C3=C(C=C2)C=C(C=C3)O)C(=C1)O)C4=C(C=C(C5=C4C=CC6=C5C=CC(=C6)O)O)OC

> <PUBCHEM_CACTVS_TPSA>
99.4

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
478.14163842

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
36

> <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>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  12  8
10  22  8
11  13  8
11  19  8
12  14  8
12  20  8
13  17  8
13  27  8
14  18  8
14  28  8
15  23  8
16  24  8
17  25  8
17  29  8
18  26  8
18  30  8
19  23  8
20  24  8
21  25  8
22  26  8
27  31  8
28  32  8
29  33  8
30  34  8
31  33  8
32  34  8
7  15  8
7  9  8
8  10  8
8  16  8
9  11  8
9  21  8

$$$$
