Mol:FL5FFCGL0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 34 37  0  0  0  0  0  0  0  0999 V2000 
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   -2.1622    1.0061    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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    2.1178   -1.7869    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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  8  9  2  0  0  0  0 
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  9 12  1  0  0  0  0 
 12 13  2  0  0  0  0 
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 23 33  1  0  0  0  0 
 33 34  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  33  34 
M  SBL   1  1  36 
M  SMT   1 CH2OH 
M  SBV   1 36   -4.5208    4.8379 
S  SKP  8 
ID	FL5FFCGL0001 
KNApSAcK_ID	C00005686 
NAME	Gossypetin 3-glucoside 
CAS_RN	38965-52-5 
FORMULA	C21H20O13 
EXACTMASS	480.090390726 
AVERAGEMASS	480.37569999999994 
SMILES	c(c42)(c(O)c(O)cc4O)OC(=C(OC(C(O)3)OC(CO)C(O)C3O)C2=O)c(c1)cc(c(O)c1)O 
M  END