Mol:FLIAALNP0001

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Copyright: ARM project http://www.metabolome.jp/
 33 36  0  0  0  0  0  0  0  0999 V2000
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  4  5  2  0  0  0  0
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  6  1  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
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  7 17  2  0  0  0  0
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  2 19  1  0  0  0  0
  1 20  1  0  0  0  0
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 21 24  1  0  0  0  0
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 28 30  1  0  0  0  0
  3 31  1  0  0  0  0
 16 32  1  0  0  0  0
 32 33  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  32  33
M  SBL   1  1  35
M  SMT   1 OCH3
M  SBV   1 35   -5.0285    4.7161
S  SKP  8
ID	FLIAALNP0001
KNApSAcK_ID	C00009448
NAME	Cajaisoflavone
CAS_RN	72578-99-5
FORMULA	C26H26O7
EXACTMASS	450.167853186
AVERAGEMASS	450.48043999999993
SMILES	c(c32)c(c(c(c2C(=O)C(c(c(OC)4)c(O)c(CC=C(C)C)c(O)c4)=CO3)O)1)OC(C=C1)(C)C
M  END

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