Mol:FL3FF8GS0012

Latest revision as of 09:00, 14 March 2009

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 44 48  0  0  0  0  0  0  0  0999 V2000 
   -1.7953    2.3433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7953    1.5183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0809    1.1058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3664    1.5183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3664    2.3433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0809    2.7558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3481    1.1058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0625    1.5183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0625    2.3433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3481    2.7558    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7770    2.7558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4915    2.3433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.2060    2.7558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.2060    3.5808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4915    3.9933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7770    3.5808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3481    0.2808    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5150    2.6903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4915    1.5832    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0809    0.2479    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0809    3.4493    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.2060    2.2914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5963    3.9647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5277   -0.7164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3529   -0.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5713    0.0791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.1648    0.6526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3395    0.6531    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1210   -0.1428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5353    0.0144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0553   -0.2625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7043   -1.3765    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9042   -0.9756    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0396   -0.3895    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5329   -3.1260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0336   -2.4704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8518   -2.5762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1693   -3.3377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6685   -3.9933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8503   -3.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3216   -3.0155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6263   -2.2844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4531   -2.1775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9505   -2.8287    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 
  4  5  1  0  0  0  0 
  5  6  2  0  0  0  0 
  6  1  1  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  5  1  0  0  0  0 
  9 11  1  0  0  0  0 
 11 12  2  0  0  0  0 
 12 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 11  1  0  0  0  0 
  7 17  2  0  0  0  0 
 18  1  1  0  0  0  0 
 12 19  1  0  0  0  0 
  3 20  1  0  0  0  0 
  6 21  1  0  0  0  0 
 18 22  1  0  0  0  0 
 21 23  1  0  0  0  0 
 24 25  1  1  0  0  0 
 25 26  1  1  0  0  0 
 27 26  1  1  0  0  0 
 27 28  1  0  0  0  0 
 28 29  1  0  0  0  0 
 29 24  1  0  0  0  0 
 29 30  1  0  0  0  0 
 30 31  1  0  0  0  0 
 24 32  1  0  0  0  0 
 25 33  1  0  0  0  0 
 26 34  1  0  0  0  0 
 27 19  1  0  0  0  0 
 35 36  2  0  0  0  0 
 36 37  1  0  0  0  0 
 37 38  2  0  0  0  0 
 38 39  1  0  0  0  0 
 39 40  2  0  0  0  0 
 40 35  1  0  0  0  0 
 35 41  1  0  0  0  0 
 41 42  2  0  0  0  0 
 42 43  1  0  0  0  0 
 43 44  2  0  0  0  0 
 43 32  1  0  0  0  0 
S  SKP  8 
ID	FL3FF8GS0012 
KNApSAcK_ID	C00013655 
NAME	Skullcapflavone I 2'-(4''-E-Cinnamoylglucoside);5-Hydroxy-7,8-dimethoxy-2-[2-[[4-O-[(2E)-1-oxo-3-phenyl-2-propenyl]-beta-D-glucopyranosyl]oxy]phenyl]-4H-1-benzopyran-4-one 
CAS_RN	393825-51-9 
FORMULA	C32H30O12 
EXACTMASS	606.173726424 
AVERAGEMASS	606.5734 
SMILES	c(c3)ccc(c3OC(C5O)OC(C(C(O)5)OC(C=Cc(c4)cccc4)=O)CO)C(O1)=CC(c(c2O)c1c(c(OC)c2)OC)=O 
M  END