
 D-Lysergic acid

 36 39  0  0  0  0  0  0  0  0999 V2000
    1.9319    0.0382    0.2333 C   0  0  0  0  0
    3.2643   -0.3249    0.7300 N   0  0  0  0  0
    4.0756    0.8846    0.9863 C   0  0  0  0  0
    4.5716    1.6507   -0.2587 C   0  0  0  0  0
    4.7189    0.7893   -1.4934 C   0  0  0  0  0
    4.4763   -0.5383   -1.4944 C   0  0  0  0  0
    4.0040   -1.2423   -0.1899 C   0  0  0  0  0
    3.2889   -2.6376   -0.3121 C   0  0  0  0  0
    3.7788   -3.4039   -1.4854 C   0  0  0  0  0
    3.6945   -4.7340   -1.8265 C   0  0  0  0  0
    4.2281   -4.8715   -3.0882 N   0  0  0  0  0
    4.6439   -3.6479   -3.5665 C   0  0  0  0  0
    5.2011   -3.2690   -4.7891 C   0  0  0  0  0
    5.5076   -1.9116   -4.9491 C   0  0  0  0  0
    5.2849   -0.9802   -3.9242 C   0  0  0  0  0
    4.7321   -1.3718   -2.6961 C   0  0  0  0  0
    4.4024   -2.7284   -2.5572 C   0  0  0  0  0
    3.6936    2.8605   -0.5344 C   0  0  0  0  0
    3.0138    3.0879   -1.5231 O   0  0  0  0  0
    3.7617    3.7856    0.4492 O   0  0  0  0  0
    1.4706    0.7864    0.8890 H   0  0  0  0  0
    1.2526   -0.8184    0.2550 H   0  0  0  0  0
    1.9379    0.4424   -0.7833 H   0  0  0  0  0
    4.9586    0.5610    1.5554 H   0  0  0  0  0
    3.5340    1.5436    1.6774 H   0  0  0  0  0
    5.5711    2.0535   -0.0428 H   0  0  0  0  0
    5.0623    1.3082   -2.3820 H   0  0  0  0  0
    4.9469   -1.4879    0.3272 H   0  0  0  0  0
    2.2075   -2.5274   -0.4384 H   0  0  0  0  0
    3.4464   -3.2081    0.6118 H   0  0  0  0  0
    3.2829   -5.5869   -1.3042 H   0  0  0  0  0
    4.2834   -5.7389   -3.6044 H   0  0  0  0  0
    5.3813   -3.9834   -5.5848 H   0  0  0  0  0
    5.9347   -1.5713   -5.8903 H   0  0  0  0  0
    5.5573    0.0547   -4.1069 H   0  0  0  0  0
    3.1864    4.5123    0.1283 H   0  0  0  0  0
  1  2  1  0  0  0
  1 21  1  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
  2  3  1  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3 24  1  0  0  0
  3 25  1  0  0  0
  4 18  1  0  0  0
  4  5  1  0  0  0
  4 26  1  0  0  0
  5  6  2  0  0  0
  5 27  1  0  0  0
  6  7  1  0  0  0
  6 16  1  0  0  0
  7  8  1  0  0  0
  7 28  1  0  0  0
  8  9  1  0  0  0
  8 29  1  0  0  0
  8 30  1  0  0  0
  9 10  2  0  0  0
  9 17  1  0  0  0
 10 11  1  0  0  0
 10 31  1  0  0  0
 11 12  1  0  0  0
 11 32  1  0  0  0
 12 13  2  0  0  0
 12 17  1  0  0  0
 13 14  1  0  0  0
 13 33  1  0  0  0
 14 15  2  0  0  0
 14 34  1  0  0  0
 15 16  1  0  0  0
 15 35  1  0  0  0
 16 17  2  0  0  0
 18 20  1  0  0  0
 18 19  2  0  0  0
 20 36  1  0  0  0
M  END

>  <Chemical Name>
D-Lysergic acid

>  <PubChem CID>
122130461

>  <Formula>
C16H16N2O2

>  <Molecular Weight>
268.316000

>  <IUPAC Name>
(9R)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxylic acid

>  <XlogP>
0.000

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CN1CC(C=C2C1CC3=CNC4=CC=CC2=C34)C(=O)O

>  <Isomeric SMILES>
CN1C[C@@H](C=C2C1CC3=CNC4=CC=CC2=C34)C(=O)O

>  <InChI Std. ID>
InChI=1S/C16H16N2O2/c1-18-8-10(16(19)20)5-12-11-3-2-4-13-15(11)9(7-17-13)6-14(12)18/h2-5,7,10,14,17H,6,8H2,1H3,(H,19,20)/t10-,14?/m1/s1

>  <InChI Key>
ZAGRKAFMISFKIO-IAPIXIRKSA-N

