Mol:FL1CRTNP0003

<pre>

Copyright: ARM project http://www.metabolome.jp/
 25 27  0  0  0  0  0  0  0  0999 V2000
   -3.4988    0.9339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4988    0.1089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7844   -0.3036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0699    0.1089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0699    0.9339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7844    1.3464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2113    1.3452    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3600   -0.3010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6746    0.0948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3600   -0.9967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0266   -0.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7408    0.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4553   -0.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1698    0.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1698    0.9274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4553    1.3399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7408    0.9274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4553   -0.9803    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8213   -1.3464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8843   -0.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5987    0.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5987    0.9274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8843    1.3399    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2113    1.2810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2079    0.5757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  4  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  9 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
 13 18  1  0  0  0  0
 18 19  1  0  0  0  0
 14 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 15  1  0  0  0  0
 22 24  1  0  0  0  0
 22 25  1  0  0  0  0
S  SKP  8
ID	FL1CRTNP0003
KNApSAcK_ID	C00014469
NAME	Licoagrochalcone B;6'',6''-Dimethylpyrano[2'',3'':4,3]-4'-hydroxy-2-methoxychalcone
CAS_RN	325144-67-0
FORMULA	C21H20O4
EXACTMASS	336.136159128
AVERAGEMASS	336.38109999999995
SMILES	COc(c12)c(C=CC(=O)c(c3)ccc(O)c3)ccc1OC(C=C2)(C)C
M  END

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