Mol:FL2FABNP0001

Revision as of 09:00, 7 October 2008

<pre>

Copyright: ARM project http://www.metabolome.jp/
 26 29  0  0  0  0  0  0  0  0999 V2000
   -2.4708    0.1065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4523   -0.6973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6751   -1.0825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0203   -0.6814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0061    0.1435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7318    0.5685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2653   -1.1069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4085   -0.7060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3992    0.1604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2846    0.5436    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1137    0.5729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8048    0.1864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5162    0.5849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5366    1.4097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8249    1.8395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1045    1.4393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2653   -1.8486    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2611    1.8044    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6751   -1.7846    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8916    1.4403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7623    1.4396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5319    1.8486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2710    1.3866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2405    0.5156    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7190    1.8346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8916    1.0283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
  7 17  2  0  0  0  0
 18 14  1  0  0  0  0
  3 19  1  0  0  0  0
 18 20  1  0  0  0  0
  6 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24  1  1  0  0  0  0
 23 25  1  0  0  0  0
 23 26  1  0  0  0  0
S  SKP  8
ID	FL2FABNP0001
KNApSAcK_ID	C00014231
NAME	5-Hydroxy-4'-methoxy-6'',6''-dimethylpyrano[2'',3'':7,8]flavanone
CAS_RN	509078-09-5
FORMULA	C21H20O5
EXACTMASS	352.13107375
AVERAGEMASS	352.3805
SMILES	C(=O)(C1)c(c(O)3)c(c(C=4)c(OC(C4)(C)C)c3)OC1c(c2)ccc(OC)c2
M  END

</pre>