Mol:FLIHBANP0001

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FLIHBANP0001.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 32 35  0  0  0  0  0  0  0  0999 V2000
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    3.1168   -1.4825    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3284   -0.6133    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6139   -1.0258    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  2  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
  1  2  1  0  0  0  0
  9 17  2  0  0  0  0
  7 18  1  0  0  0  0
  1 19  1  0  0  0  0
 20  2  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
  6 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 19  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 14 30  1  0  0  0  0
  3 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 OCH3
M  SBV   1 34   -5.6550    4.9496
S  SKP  8
ID	FLIHBANP0001
KNApSAcK_ID	C00009792
NAME	Scandenin
CAS_RN	5084-00-4
FORMULA	C26H26O6
EXACTMASS	434.172938564
AVERAGEMASS	434.48103999999995
SMILES	c(c1)(ccc(C(C4=O)=C(O)c(c(O4)3)c(OC)c(CC=C(C)C)c(c23)OC(C=C2)(C)C)c1)O
M  END

</pre>

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