46880203
  -OEChem-04282423382D

 57 60  0     1  0  0  0  0  0999 V2000
    6.1557   -1.7463    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2409   -4.3809    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3217    1.3158    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5357   -1.7293    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9198   -0.1842    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8397    3.3609    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0659    4.3850    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1725   -2.8312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2370   -3.3809    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.2974   -2.8384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3058   -1.7535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2038   -1.2257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6824   -3.6914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1724   -2.8196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1877   -0.1842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4037   -1.2326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3217    0.3158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4117   -0.1910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    0.3158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    1.3158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1877    1.8158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9638    1.8226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8240    1.3127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9718    2.8643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1717    2.8573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0697    3.3851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6957    1.8026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5559    1.2926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8436    4.3609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4276    1.7826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5443    0.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7758   -3.6878    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6874   -2.7276    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0838   -3.4205    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1491   -4.0076    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9986   -4.2247    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2158   -3.3752    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1796   -3.4396    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7924   -2.8125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1652   -2.1997    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8784    0.1251    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7052   -4.6930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4200    0.8424    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2170    0.8331    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6312    3.1611    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.4172    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7029    2.4226    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5277    4.6930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4636    4.3585    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8460    4.9809    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2236    4.3633    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7314    1.2421    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9681    2.0864    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1239    2.3231    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9244    0.2999    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5372   -0.3273    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1643    0.2855    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 12  1  0  0  0  0
  2  9  1  0  0  0  0
  2 42  1  0  0  0  0
  3 17  1  0  0  0  0
  3 21  1  0  0  0  0
  4 16  1  0  0  0  0
  4 46  1  0  0  0  0
  5 19  2  0  0  0  0
  6 24  1  0  0  0  0
  6 29  1  0  0  0  0
  7 26  1  0  0  0  0
  7 48  1  0  0  0  0
  8  9  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  0  0  0  0
  9 10  1  0  0  0  0
  9 32  1  0  0  0  0
 10 11  1  0  0  0  0
 10 33  1  0  0  0  0
 10 34  1  0  0  0  0
 11 12  2  0  0  0  0
 11 16  1  0  0  0  0
 12 15  1  0  0  0  0
 13 35  1  0  0  0  0
 13 36  1  0  0  0  0
 13 37  1  0  0  0  0
 14 38  1  0  0  0  0
 14 39  1  0  0  0  0
 14 40  1  0  0  0  0
 15 17  2  0  0  0  0
 15 19  1  0  0  0  0
 16 18  2  0  0  0  0
 17 18  1  0  0  0  0
 18 41  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 21 25  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23 27  1  0  0  0  0
 23 43  1  0  0  0  0
 23 44  1  0  0  0  0
 24 26  1  0  0  0  0
 25 26  2  0  0  0  0
 25 45  1  0  0  0  0
 27 28  2  0  0  0  0
 27 47  1  0  0  0  0
 28 30  1  0  0  0  0
 28 31  1  0  0  0  0
 29 49  1  0  0  0  0
 29 50  1  0  0  0  0
 29 51  1  0  0  0  0
 30 52  1  0  0  0  0
 30 53  1  0  0  0  0
 30 54  1  0  0  0  0
 31 55  1  0  0  0  0
 31 56  1  0  0  0  0
 31 57  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
46880203

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
715

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
7

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB4OAAAAAAAAAAAAAAAAAAAAAAAAAA0aIEAAAAAAACRQAAAGgAACAAADFSgmAIyBoAABgCIAqBSAAACCAAkIAAAiAEGiMgNNzaGNRqCeWOl4BULuQfK7PzOoQADCAAYQABCAAYQADCAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
3,5,9-trihydroxy-10-methoxy-2,2-dimethyl-11-(3-methylbut-2-enyl)-3,4-dihydropyrano[2,3-a]xanthen-12-one

> <PUBCHEM_IUPAC_CAS_NAME>
3,5,9-trihydroxy-10-methoxy-2,2-dimethyl-11-(3-methylbut-2-enyl)-3,4-dihydropyrano[2,3-a]xanthen-12-one

> <PUBCHEM_IUPAC_NAME_MARKUP>
3,5,9-trihydroxy-10-methoxy-2,2-dimethyl-11-(3-methylbut-2-enyl)-3,4-dihydropyrano[2,3-a]xanthen-12-one

> <PUBCHEM_IUPAC_NAME>
3,5,9-trihydroxy-10-methoxy-2,2-dimethyl-11-(3-methylbut-2-enyl)-3,4-dihydropyrano[2,3-a]xanthen-12-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
10-methoxy-2,2-dimethyl-11-(3-methylbut-2-enyl)-3,5,9-tris(oxidanyl)-3,4-dihydropyrano[2,3-a]xanthen-12-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
3,5,9-trihydroxy-10-methoxy-2,2-dimethyl-11-(3-methylbut-2-enyl)-3,4-dihydropyrano[2,3-a]xanthen-12-one

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C24H26O7/c1-11(2)6-7-12-19-16(10-15(26)22(12)29-5)30-17-9-14(25)13-8-18(27)24(3,4)31-23(13)20(17)21(19)28/h6,9-10,18,25-27H,7-8H2,1-5H3

> <PUBCHEM_IUPAC_INCHIKEY>
YHXWPTCZEWMDBD-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.2

> <PUBCHEM_EXACT_MASS>
426.16785316

> <PUBCHEM_MOLECULAR_FORMULA>
C24H26O7

> <PUBCHEM_MOLECULAR_WEIGHT>
426.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(=CCC1=C(C(=CC2=C1C(=O)C3=C(O2)C=C(C4=C3OC(C(C4)O)(C)C)O)O)OC)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(=CCC1=C(C(=CC2=C1C(=O)C3=C(O2)C=C(C4=C3OC(C(C4)O)(C)C)O)O)OC)C

> <PUBCHEM_CACTVS_TPSA>
105

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
426.16785316

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
31

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <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>
11  12  8
11  16  8
12  15  8
15  17  8
15  19  8
16  18  8
17  18  8
19  20  8
9  2  3
20  21  8
20  22  8
21  25  8
22  24  8
24  26  8
25  26  8
3  17  8
3  21  8

$$$$
