Mol:FLIE1ANI0001

<pre>

Copyright: ARM project http://www.metabolome.jp/
 25 28  0  0  0  0  0  0  0  0999 V2000
   -0.9749    1.0391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9749    0.4612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4745    0.1723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0260    0.4612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0260    1.0391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4745    1.3280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5264    0.1723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0269    0.4612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0269    1.0391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5264    1.3280    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4161    1.2938    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6466   -0.3930    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2213   -0.4534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4563    0.0745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5609   -0.9209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1356   -0.8605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3707   -0.3326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0310    0.1349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4753   -1.3280    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4750    0.1724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4750   -0.4051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9752   -0.6938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4753   -0.4051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9752   -1.2713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8929    1.5391    0.0000 O   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  2  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
  1 11  1  0  0  0  0
  7 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  8  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 14  1  0  0  0  0
 19 16  1  0  0  0  0
  2 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
  9 25  2  0  0  0  0
S  SKP  8
ID	FLIE1ANI0001
KNApSAcK_ID	C00002566
NAME	Psoralidin;3,9-Dihydroxy-2-prenylcoumestan
CAS_RN	18642-23-4
FORMULA	C20H16O5
EXACTMASS	336.099773622
AVERAGEMASS	336.33804000000003
SMILES	c(c42)(c1OC(c2c(c3)c(o4)cc(O)c3)=O)cc(c(O)c1)CC=C(C)C
M  END

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