Mol:FLID1ANI0003

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FLID1ANI0003.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 25 28  0  0  0  0  0  0  0  0999 V2000 
   -2.1830    1.8637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1830    1.2213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6267    0.9001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0704    1.2213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0704    1.8637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6267    2.1849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5141    0.9001    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
    0.0422    1.2213    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
    0.0422    1.8637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5141    2.1849    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5983    0.9003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5983    0.2135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1931   -0.1299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7879    0.2135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7879    0.9003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1931    1.2437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5083    0.2137    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7393    2.1849    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1931   -0.8161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7861   -1.1584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7861   -1.8432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1943   -2.1849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3779   -2.1849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7879    0.2135    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7879    0.2135    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  1  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 
  1 18  1  0  0  0  0 
 13 19  1  0  0  0  0 
 19 20  1  0  0  0  0 
 20 21  2  0  0  0  0 
 21 22  1  0  0  0  0 
 21 23  1  0  0  0  0 
 14 24  1  0  0  0  0 
 24 25  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  24  25 
M  SBL   1  1  27 
M  SMT   1  OCH3 
M  SVB   1 27    2.0248    0.0072 
S  SKP  8 
ID	FLID1ANI0003 
KNApSAcK_ID	C00009644 
NAME	Sandwicensin;3-Hydroxy-9-methoxy-10-prenylpterocarpan 
CAS_RN	74515-46-1 
FORMULA	C21H22O4 
EXACTMASS	338.151809192 
AVERAGEMASS	338.39698 
SMILES	c(C24)(c(OC2c(c3OC4)ccc(O)c3)1)ccc(c1CC=C(C)C)OC 
M  END
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