Mol:FLIE1ANP0003

<pre>

Copyright: ARM project http://www.metabolome.jp/
 25 29  0  0  0  0  0  0  0  0999 V2000
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   -0.3571    0.6872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7555    0.0449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7555    0.6872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1992    1.0084    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3116   -0.2762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3116   -0.9630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5012   -0.9630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5012   -0.2762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9064    0.0672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2050   -0.9628    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0954   -1.3061    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3116    1.0083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0260    1.0084    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5823    0.6872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5823    0.0449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.5823    1.3064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0954    0.3910    0.0000 C   0  0  0  0  0  0  0  0  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
  8 11  1  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 11  2  0  0  0  0
  7 17  1  0  0  0  0
  1  2  1  0  0  0  0
 12 17  1  0  0  0  0
 14 18  1  0  0  0  0
  9 19  2  0  0  0  0
  1 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23  2  1  0  0  0  0
 21 24  1  0  0  0  0
 21 25  1  0  0  0  0
S  SKP  8
ID	FLIE1ANP0003
KNApSAcK_ID	C00009775
NAME	Isopsoralidin;1,2-Dideoxycorylidin
CAS_RN	3564-61-2
FORMULA	C20H16O5
EXACTMASS	336.099773622
AVERAGEMASS	336.33804000000003
SMILES	c(O)(c1)ccc(c52)c(oc(c(c(OC5=O)3)cc(C4)c(OC(C4)(C)C)c3)2)1
M  END

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