Mol:FLIFHXNP0003

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FLIFHXNP0003.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 31 35  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  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
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  7 17  2  0  0  0  0
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  1 20  1  0  0  0  0
  8 21  1  0  0  0  0
  6 22  1  0  0  0  0
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  3 27  1  0  0  0  0
 13 28  1  0  0  0  0
 28 29  1  0  0  0  0
 14 30  1  0  0  0  0
 30 31  1  0  0  0  0
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  30  31
M  SBL   2  1  34
M  SMT   2  OCH3
M  SVB   2 34    2.3451   -1.4076
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  28  29
M  SBL   1  1  32
M  SMT   1  OCH3
M  SVB   1 32    1.0959   -1.7163
S  SKP  8
ID	FLIFHXNP0003
KNApSAcK_ID	C00009591
NAME	11-Hydroxytephrosin
CAS_RN	72458-85-6
FORMULA	C23H22O8
EXACTMASS	426.13146768
AVERAGEMASS	426.41598000000005
SMILES	c(c54)c(O)c(c3c4C=CC(O5)(C)C)C(C(C2O3)(c(c1)c(OC2)cc(c1OC)OC)O)=O
M  END

</pre>

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