Mol:FL1A3CGS0001

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FL1A3CGS0001.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 32 35  0  0  0  0  0  0  0  0999 V2000 
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   -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 
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  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
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