Mol:FLNFA9NP0001

<pre>

Copyright: ARM project http://www.metabolome.jp/
 31 34  0  0  0  0  0  0  0  0999 V2000
   -0.9336    0.4134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3773    0.7346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1788    0.4135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1788   -0.2524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9336   -0.2286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3773   -0.5496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4897    0.7345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3773    1.3767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9336    1.6981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4897    1.3770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4898   -0.5496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4898   -1.1919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9336   -1.5130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3773   -1.1919    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7496   -0.5946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3313   -0.2713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7387   -1.1568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0458    1.6980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9335    2.3403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1789    1.6977    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5182   -1.8506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3906   -1.8265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2263   -1.4527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2263   -2.0444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7387   -2.3403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2512   -2.0444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2512   -1.4527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7323    0.7331    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3313    0.1412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0458   -0.2713    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6169   -0.2713    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  1  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  4  1  0  0  0  0
  1  7  1  0  0  0  0
  2  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  7  1  0  0  0  0
  5 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14  6  1  0  0  0  0
  4 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 10 18  1  0  0  0  0
  9 19  1  0  0  0  0
  8 20  2  0  0  0  0
 13 21  1  0  0  0  0
 13 22  1  0  0  0  0
 17 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 17  1  0  0  0  0
  3 28  1  0  0  0  0
 16 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  3  29  30  31
M  SBL   1  1  32
M  SMT   1 COOH
M  SBV   1 32   -4.7640    5.4195
S  SKP  8
ID	FLNFA9NP0001
KNApSAcK_ID	C00010269
NAME	Calophyllic acid
CAS_RN	11025-23-3
FORMULA	C25H24O6
EXACTMASS	420.1572885
AVERAGEMASS	420.45446
SMILES	CC(C)(O1)C=Cc(c34)c1c(c(c(C(C(C(C)O4)C)=O)3)O)C(c(c2)cccc2)=CC(O)=O
M  END

</pre>