Mol:FL1CCANI0001

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Copyright: ARM project http://www.metabolome.jp/
 26 27  0  0  0  0  0  0  0  0999 V2000
   -2.5005    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5005    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7860   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0716    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0716    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7860    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7860    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2150   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3571    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3571    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3571    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3574    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0718    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7863    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7863    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5008    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2153    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2153    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5008    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9297    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7860   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0716   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0716   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7860   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3571   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9297    0.4127    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
  6  7  1  0  0  0  0
  2  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 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 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 14  1  0  0  0  0
 17 20  1  0  0  0  0
  3 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
  8 26  1  0  0  0  0
S  SKP  8
ID	FL1CCANI0001
KNApSAcK_ID	C00014475
NAME	Xanthogalenol;3'-Prenyl-4,2',6'-trihydroxy-4'-methoxychalcone
CAS_RN	265659-35-6
FORMULA	C21H22O5
EXACTMASS	354.146723814
AVERAGEMASS	354.39638
SMILES	Oc(c2)ccc(c2)C=CC(=O)c(c1O)c(cc(c(CC=C(C)C)1)OC)O
M  END

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