Mol:FL7AACGL0066

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FL7AACGL0066.png 

 
 
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M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  64  65 
M  SBL   2  1  70 
M  SMT   2  CH2OH 
M  SVB   2 70   -0.0489   -2.5127 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  40  41 
M  SBL   1  1  42 
M  SMT   1  CH2OH 
M  SVB   1 42   -4.0393   -1.0523 
S  SKP  8 
ID	FL7AACGL0066 
KNApSAcK_ID	C00006842 
NAME	Cyanidin 3-(6''-p-coumarylsophoroside)-5-glucoside 
CAS_RN	119722-80-4,107500-81-2 
FORMULA	C42H47O23 
EXACTMASS	919.25081281 
AVERAGEMASS	919.8087800000001 
SMILES	O([C@H]1Oc(c24)cc(O)cc([o+1]c(c(O[C@H]([C@H](O[C@@H]([C@@H](O)7)OC(CO)[C@H](O)[C@H](O)7)5)OC(COC(C=Cc(c6)ccc(c6)O)=O)[C@@H](O)[C@H]5O)c4)c(c3)ccc(c(O)3)O)2)C([C@@H]([C@@H]([C@H](O)1)O)O)CO 
M  END
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