Mol:FLID1ANI0003

Revision as of 09:00, 7 October 2008

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Copyright: ARM project http://www.metabolome.jp/
 25 28  0  0  0  0  0  0  0  0999 V2000
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   -2.1830    1.2213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0422    1.8637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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
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    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
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  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
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  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
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 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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