
 Abnormal cannabidiol

 53 54  0  0  0  0  0  0  0  0999 V2000
    2.0924    2.0163   -3.6126 C   0  0  0  0  0
    1.9953    3.3187   -2.8332 C   0  0  0  0  0
    2.7055    3.2741   -1.4781 C   0  0  0  0  0
    4.2211    3.0991   -1.5942 C   0  0  0  0  0
    4.8952    3.1457   -0.2181 C   0  0  0  0  0
    6.4031    3.0310   -0.3319 C   0  0  0  0  0
    7.1103    4.2361   -0.5181 C   0  0  0  0  0
    8.4905    4.2398   -0.6540 C   0  0  0  0  0
    9.2047    3.0549   -0.6092 C   0  0  0  0  0
    8.5189    1.8499   -0.4302 C   0  0  0  0  0
    7.1115    1.7983   -0.2990 C   0  0  0  0  0
    6.3774    0.4638   -0.0934 C   0  0  0  0  0
    6.8293   -0.6580   -1.0042 C   0  0  0  0  0
    6.7708   -1.9618   -0.6782 C   0  0  0  0  0
    6.2024   -2.4386    0.6309 C   0  0  0  0  0
    5.5279   -1.3468    1.4746 C   0  0  0  0  0
    6.2083    0.0399    1.4068 C   0  0  0  0  0
    7.4269    0.1858    2.3287 C   0  0  0  0  0
    7.6203    1.3186    3.0300 C   0  0  0  0  0
    8.4018   -0.9486    2.4735 C   0  0  0  0  0
    7.2914   -3.0252   -1.6014 C   0  0  0  0  0
    9.2466    0.6932   -0.3863 O   0  0  0  0  0
    9.1071    5.4426   -0.8330 O   0  0  0  0  0
    1.4796    2.0738   -4.5182 H   0  0  0  0  0
    1.7348    1.1721   -3.0144 H   0  0  0  0  0
    3.1207    1.8103   -3.9234 H   0  0  0  0  0
    0.9358    3.5445   -2.6626 H   0  0  0  0  0
    2.3995    4.1372   -3.4398 H   0  0  0  0  0
    2.2841    2.4650   -0.8685 H   0  0  0  0  0
    2.4923    4.2117   -0.9499 H   0  0  0  0  0
    4.6286    3.8899   -2.2364 H   0  0  0  0  0
    4.4538    2.1459   -2.0823 H   0  0  0  0  0
    4.4899    2.3729    0.4419 H   0  0  0  0  0
    4.6471    4.0931    0.2795 H   0  0  0  0  0
    6.5785    5.1845   -0.5618 H   0  0  0  0  0
   10.2830    3.0623   -0.7142 H   0  0  0  0  0
    5.3566    0.6268   -0.4659 H   0  0  0  0  0
    7.2280   -0.3619   -1.9711 H   0  0  0  0  0
    5.4587   -3.2231    0.4369 H   0  0  0  0  0
    7.0000   -2.9180    1.2058 H   0  0  0  0  0
    4.4969   -1.2317    1.1088 H   0  0  0  0  0
    5.4368   -1.6874    2.5129 H   0  0  0  0  0
    5.4600    0.7312    1.8248 H   0  0  0  0  0
    6.9456    2.1641    2.9427 H   0  0  0  0  0
    8.4752    1.4447    3.6883 H   0  0  0  0  0
    8.7856   -1.2682    1.5007 H   0  0  0  0  0
    7.9288   -1.7980    2.9738 H   0  0  0  0  0
    9.2696   -0.6678    3.0827 H   0  0  0  0  0
    7.6674   -2.6085   -2.5409 H   0  0  0  0  0
    6.4986   -3.7395   -1.8475 H   0  0  0  0  0
    8.1144   -3.5681   -1.1252 H   0  0  0  0  0
   10.1923    0.8991   -0.4295 H   0  0  0  0  0
   10.0632    5.2953   -0.9146 H   0  0  0  0  0
  1  2  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  2  3  1  0  0  0
  2 27  1  0  0  0
  2 28  1  0  0  0
  3  4  1  0  0  0
  3 29  1  0  0  0
  3 30  1  0  0  0
  4  5  1  0  0  0
  4 31  1  0  0  0
  4 32  1  0  0  0
  5  6  1  0  0  0
  5 33  1  0  0  0
  5 34  1  0  0  0
  6 11  1  0  0  0
  6  7  2  0  0  0
  7  8  1  0  0  0
  7 35  1  0  0  0
  8  9  2  0  0  0
  8 23  1  0  0  0
  9 10  1  0  0  0
  9 36  1  0  0  0
 10 11  2  0  0  0
 10 22  1  0  0  0
 11 12  1  0  0  0
 12 17  1  0  0  0
 12 13  1  0  0  0
 12 37  1  0  0  0
 13 14  2  0  0  0
 13 38  1  0  0  0
 14 15  1  0  0  0
 14 21  1  0  0  0
 15 16  1  0  0  0
 15 39  1  0  0  0
 15 40  1  0  0  0
 16 17  1  0  0  0
 16 41  1  0  0  0
 16 42  1  0  0  0
 17 18  1  0  0  0
 17 43  1  0  0  0
 18 20  1  0  0  0
 18 19  2  0  0  0
 19 44  1  0  0  0
 19 45  1  0  0  0
 20 46  1  0  0  0
 20 47  1  0  0  0
 20 48  1  0  0  0
 21 49  1  0  0  0
 21 50  1  0  0  0
 21 51  1  0  0  0
 22 52  1  0  0  0
 23 53  1  0  0  0
M  END

>  <Chemical Name>
Abnormal cannabidiol

>  <PubChem CID>
89949

>  <Formula>
C21H30O2

>  <Molecular Weight>
314.469000

>  <IUPAC Name>
4-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylbenzene-1,3-diol

>  <XlogP>
6.5

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CCCCCC1=CC(=CC(=C1C2C=C(CCC2C(=C)C)C)O)O

>  <Isomeric SMILES>
CCCCCC1=CC(=CC(=C1[C@@H]2C=C(CC[C@H]2C(=C)C)C)O)O

>  <InChI Std. ID>
InChI=1S/C21H30O2/c1-5-6-7-8-16-12-17(22)13-20(23)21(16)19-11-15(4)9-10-18(19)14(2)3/h11-13,18-19,22-23H,2,5-10H2,1,3-4H3/t18-,19+/m0/s1

>  <InChI Key>
YWEZXUNAYVCODW-RBUKOAKNSA-N

