Mol:FL1A3CGS0001

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FL1A3CGS0001.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 32 35  0  0  0  0  0  0  0  0999 V2000
    0.0911   -0.3979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0911    0.2017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.0137   -0.0981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6613    0.3870    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4665    0.5014    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4555   -0.0981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.4142   -0.3102    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4281    1.1010    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4455    1.1218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6486    0.9082    0.0000 O   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
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  2  1  0  0  0  0
  4 10  1  0  0  0  0
  8 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
 15 18  1  0  0  0  0
  7 19  2  0  0  0  0
 16 20  1  0  0  0  0
 21 22  1  1  0  0  0
 22 23  1  1  0  0  0
 24 23  1  1  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 21  1  0  0  0  0
 21 27  1  0  0  0  0
 22 28  1  0  0  0  0
 23 29  1  0  0  0  0
 24 10  1  0  0  0  0
  3 30  1  0  0  0  0
 26 31  1  0  0  0  0
 31 32  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  31  32
M  SBL   1  1  34
M  SMT   1 ^CH2OH
M  SBV   1 34   -6.8826    6.0582
S  SKP  8
ID	FL1A3CGS0001
KNApSAcK_ID	C00008050
NAME	Maritimein
CAS_RN	490-54-0
FORMULA	C21H20O11
EXACTMASS	448.100561482
AVERAGEMASS	448.3769
SMILES	c(c1O)c(C=c(c(=O)2)oc(c3O)c2ccc3OC(O4)C(O)C(O)C(O)C4CO)ccc1O
M  END

</pre>

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