
 Dihydrorotenone

 53 57  0  0  0  0  0  0  0  0999 V2000
    0.2887   -0.9889   -1.1233 C   0  0  0  0  0
    0.5539    0.3343   -0.4028 C   0  0  0  0  0
    0.2578    0.1764    1.0924 C   0  0  0  0  0
    1.9945    0.8306   -0.6321 C   0  0  0  0  0
    2.3389    1.0552   -2.1164 C   0  0  0  0  0
    3.2391    2.2225   -1.9809 C   0  0  0  0  0
    3.0829    2.7736   -0.7190 C   0  0  0  0  0
    2.1970    2.0903    0.0707 O   0  0  0  0  0
    3.7505    3.9171   -0.3253 C   0  0  0  0  0
    4.6341    4.5052   -1.2336 C   0  0  0  0  0
    4.8063    3.9435   -2.5125 C   0  0  0  0  0
    4.0787    2.8115   -2.9059 C   0  0  0  0  0
    4.1633    2.2423   -4.1477 O   0  0  0  0  0
    4.7029    3.1503   -5.1191 C   0  0  0  0  0
    4.8535    2.4333   -6.4520 C   0  0  0  0  0
    5.2987    3.3198   -7.4785 O   0  0  0  0  0
    6.3972    4.0661   -7.1436 C   0  0  0  0  0
    7.0960    4.6232   -8.2123 C   0  0  0  0  0
    8.2471    5.3869   -7.9957 C   0  0  0  0  0
    8.7269    5.5713   -6.6892 C   0  0  0  0  0
    8.0037    5.0167   -5.6214 C   0  0  0  0  0
    6.8187    4.2863   -5.8292 C   0  0  0  0  0
    6.0773    3.6485   -4.6763 C   0  0  0  0  0
    5.8018    4.5079   -3.4562 C   0  0  0  0  0
    6.3871    5.5474   -3.1724 O   0  0  0  0  0
    9.9056    6.2515   -6.5344 O   0  0  0  0  0
   10.3703    6.4871   -5.2115 C   0  0  0  0  0
    8.8403    5.8284   -9.1523 O   0  0  0  0  0
    9.4094    7.1317   -9.0940 C   0  0  0  0  0
    0.4043   -0.8850   -2.2066 H   0  0  0  0  0
   -0.7340   -1.3343   -0.9365 H   0  0  0  0  0
    0.9764   -1.7701   -0.7816 H   0  0  0  0  0
   -0.1431    1.0893   -0.7893 H   0  0  0  0  0
    0.9384   -0.5453    1.5570 H   0  0  0  0  0
   -0.7673   -0.1761    1.2496 H   0  0  0  0  0
    0.3608    1.1296    1.6208 H   0  0  0  0  0
    2.7037    0.1120   -0.1947 H   0  0  0  0  0
    1.4612    1.3317   -2.7096 H   0  0  0  0  0
    2.8269    0.1791   -2.5527 H   0  0  0  0  0
    3.6037    4.3329    0.6660 H   0  0  0  0  0
    5.1966    5.3905   -0.9428 H   0  0  0  0  0
    4.0012    3.9879   -5.2588 H   0  0  0  0  0
    3.8856    2.0233   -6.7630 H   0  0  0  0  0
    5.5353    1.5755   -6.3801 H   0  0  0  0  0
    6.7502    4.4533   -9.2291 H   0  0  0  0  0
    8.3573    5.1347   -4.6010 H   0  0  0  0  0
    6.6896    2.8033   -4.3283 H   0  0  0  0  0
    9.6463    7.0713   -4.6338 H   0  0  0  0  0
   11.2903    7.0755   -5.2813 H   0  0  0  0  0
   10.6169    5.5467   -4.7078 H   0  0  0  0  0
    9.4197    7.5312  -10.1129 H   0  0  0  0  0
   10.4484    7.0827   -8.7561 H   0  0  0  0  0
    8.8200    7.8185   -8.4767 H   0  0  0  0  0
  1  2  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  1 32  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  2 33  1  0  0  0
  3 34  1  0  0  0
  3 35  1  0  0  0
  3 36  1  0  0  0
  4  8  1  0  0  0
  4  5  1  0  0  0
  4 37  1  0  0  0
  5  6  1  0  0  0
  5 38  1  0  0  0
  5 39  1  0  0  0
  6 12  1  0  0  0
  6  7  2  0  0  0
  7  9  1  0  0  0
  7  8  1  0  0  0
  9 10  2  0  0  0
  9 40  1  0  0  0
 10 11  1  0  0  0
 10 41  1  0  0  0
 11 12  2  0  0  0
 11 24  1  0  0  0
 12 13  1  0  0  0
 13 14  1  0  0  0
 14 23  1  0  0  0
 14 15  1  0  0  0
 14 42  1  0  0  0
 15 16  1  0  0  0
 15 43  1  0  0  0
 15 44  1  0  0  0
 16 17  1  0  0  0
 17 18  2  0  0  0
 17 22  1  0  0  0
 18 19  1  0  0  0
 18 45  1  0  0  0
 19 20  2  0  0  0
 19 28  1  0  0  0
 20 21  1  0  0  0
 20 26  1  0  0  0
 21 22  2  0  0  0
 21 46  1  0  0  0
 22 23  1  0  0  0
 23 24  1  0  0  0
 23 47  1  0  0  0
 24 25  2  0  0  0
 26 27  1  0  0  0
 27 48  1  0  0  0
 27 49  1  0  0  0
 27 50  1  0  0  0
 28 29  1  0  0  0
 29 51  1  0  0  0
 29 52  1  0  0  0
 29 53  1  0  0  0
M  END

>  <Chemical Name>
Dihydrorotenone

>  <PubChem CID>
4323685

>  <Formula>
C23H24O6

>  <Molecular Weight>
396.439000

>  <IUPAC Name>


>  <XlogP>
4.200

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC(C)C1CC2=C(O1)C=CC3=C2OC4COC5=CC(=C(C=C5C4C3=O)OC)OC

>  <Isomeric SMILES>
CC(C)C1CC2=C(O1)C=CC3=C2OC4COC5=CC(=C(C=C5C4C3=O)OC)OC

>  <InChI Std. ID>
InChI=1S/C23H24O6/c1-11(2)16-8-14-15(28-16)6-5-12-22(24)21-13-7-18(25-3)19(26-4)9-17(13)27-10-20(21)29-23(12)14/h5-7,9,11,16,20-21H,8,10H2,1-4H3

>  <InChI Key>
DTFARBHXORYQBF-UHFFFAOYSA-N

