Mol:FLIA1CGS0002

<pre>

Copyright: ARM project http://www.metabolome.jp/
 43 48  0  0  0  0  0  0  0  0999 V2000
   -0.1612    1.2260    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3952    0.9048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9515    1.2260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5075    0.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5075    0.2390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0843   -0.0940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6610    0.2390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6610    0.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0843    1.2379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3954    0.2628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9515   -0.0582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0843   -0.7595    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2374   -0.0937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2374   -0.7304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7887   -1.0487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3401   -0.7304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3401   -0.0937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7887    0.2246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1337    1.1023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7625    0.6123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2280    0.8202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7123    0.8257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0871    1.2006    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5547    0.9538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6476    0.8056    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3412    0.5842    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9218    0.3061    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9211   -1.6714    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5542   -1.7380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8132   -1.1564    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2993    0.1741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9282   -0.3158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3937   -0.1079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8779   -0.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2527    0.2725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7203    0.0257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8132   -0.1225    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5068   -0.3440    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0874   -0.6221    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1187    0.8099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3219    0.5963    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9531    1.7380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1562    1.5245    0.0000 O   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  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9  4  1  0  0  0  0
  2 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11  5  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 13  1  0  0  0  0
 19 20  1  1  0  0  0
 20 21  1  1  0  0  0
 22 21  1  1  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 19  1  0  0  0  0
 19 25  1  0  0  0  0
 20 26  1  0  0  0  0
 21 27  1  0  0  0  0
 22  1  1  0  0  0  0
 15 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 16  1  0  0  0  0
 31 32  1  1  0  0  0
 32 33  1  1  0  0  0
 34 33  1  1  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 31  1  0  0  0  0
 31 37  1  0  0  0  0
 32 38  1  0  0  0  0
 33 39  1  0  0  0  0
 34 26  1  0  0  0  0
 36 40  1  0  0  0  0
 40 41  1  0  0  0  0
 24 42  1  0  0  0  0
 42 43  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  40  41
M  SBL   1  1  45
M  SMT   1 ^CH2OH
M  SBV   1 45   -8.8456    4.6326
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  42  43
M  SBL   2  1  47
M  SMT   2 ^CH2OH
M  SBV   2 47   -8.8456    4.6326
S  SKP  8
ID	FLIA1CGS0002
KNApSAcK_ID	C00010086
NAME	Pseudobaptigenin 7-O-laminaribioside
CAS_RN	-
FORMULA	C28H30O15
EXACTMASS	606.15847029
AVERAGEMASS	606.5288
SMILES	C(C(Oc(c3)ccc(C(=O)4)c3OC=C4c(c6)cc(c(c6)5)OCO5)1)(O)C(OC(O2)C(C(C(C2CO)O)O)O)C(O)C(CO)O1
M  END

</pre>