Mol:FL1CECNS0002

<pre>

Copyright: ARM project http://www.metabolome.jp/
 25 27  0  0  0  0  0  0  0  0999 V2000
   -2.4502    0.3212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4502   -0.3212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8939   -0.6424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3376   -0.3212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3376    0.3212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8939    0.6424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7813   -0.6424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2250   -0.3212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3311   -0.6422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8872   -0.3212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4482   -0.6451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0092   -0.3212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0092    0.3266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4482    0.6505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8872    0.3266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7813   -1.1437    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8939   -1.2845    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6253   -0.5214    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0061    0.0027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6253    0.5268    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8939    1.2845    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0061    0.9030    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2092    0.6895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7815    0.6422    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0670    0.2297    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
  3 17  1  0  0  0  0
 12 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 13  1  0  0  0  0
  6 21  1  0  0  0  0
  1 22  1  0  0  0  0
 22 23  1  0  0  0  0
  5 24  1  0  0  0  0
 24 25  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  22  23
M  SBL   1  1  24
M  SMT   1 ^OCH3
M  SBV   1 24   -6.6319    4.1824
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  24  25
M  SBL   2  1  26
M  SMT   2 OCH3
M  SBV   2 26   -5.5200    3.9216
S  SKP  8
ID	FL1CECNS0002
KNApSAcK_ID	C00007030
NAME	Agestricin A
CAS_RN	85563-73-1
FORMULA	C18H16O7
EXACTMASS	344.089602866
AVERAGEMASS	344.31543999999997
SMILES	c(c3O)(OC)cc(c(c3OC)C(=O)C=Cc(c1)cc(O2)c(OC2)c1)O
M  END

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