Mol:FL1CALNS0001

<pre>

Copyright: ARM project http://www.metabolome.jp/
 24 25  0  0  0  0  0  0  0  0999 V2000
   -2.5893    0.6382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5893   -0.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0330   -0.3254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4767   -0.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4767    0.6382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0330    0.9594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9204   -0.3254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3641   -0.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1920   -0.3252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7481   -0.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3091   -0.3281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8701   -0.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8701    0.6436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3091    0.9675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7481    0.6436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9204   -0.8267    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1454    0.9592    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0330   -0.9675    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4309    0.9674    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1454    0.5549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9206    0.9592    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2061    0.5467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8750   -0.4900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5895   -0.9025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  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  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  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 10  1  0  0  0  0
  7 16  2  0  0  0  0
  1 17  1  0  0  0  0
  3 18  1  0  0  0  0
 13 19  1  0  0  0  0
 19 20  1  0  0  0  0
  5 21  1  0  0  0  0
 21 22  1  0  0  0  0
 11 23  1  0  0  0  0
 23 24  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  19  20
M  SBL   1  1  20
M  SMT   1 OCH3
M  SBV   1 20   -4.7675    2.9420
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  21  22
M  SBL   2  1  22
M  SMT   2 OCH3
M  SBV   2 22   -4.7722    2.9392
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  23  24
M  SBL   3  1  24
M  SMT   3 OCH3
M  SBV   3 24   -5.7624    2.4563
S  SKP  8
ID	FL1CALNS0001
KNApSAcK_ID	C00006965
NAME	Cerasin
CAS_RN	64166-11-6
FORMULA	C18H18O6
EXACTMASS	330.110338308
AVERAGEMASS	330.33191999999997
SMILES	c(c(C(=O)C=Cc(c2)c(OC)cc(OC)c2)1)(OC)cc(O)cc1O
M  END

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