Mol:FL7AACGL0022

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FL7AACGL0022.png

 
 
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 35 38  0  0  0  0  0  0  0  0999 V2000 
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  7  8  2  0  0  0  0 
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  1 17  1  0  0  0  0 
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  3 19  1  0  0  0  0 
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 24 34  1  0  0  0  0 
 34 35  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  34  35 
M  SBL   1  1  37 
M  SMT   1 CH2OH 
M  SBV   1 37   -6.7453    5.1979 
S  SKP  8 
ID	FL7AACGL0022 
KNApSAcK_ID	C00006792 
NAME	Cyanidin 3-(4''-acetylglucoside) 
CAS_RN	88395-42-0 
FORMULA	C23H23O12 
EXACTMASS	491.1189512 
AVERAGEMASS	491.42152 
SMILES	C(C(O1)C(C(O)C(O)C(Oc(c3c(c4)ccc(c4O)O)cc(c(O)2)c([o+1]3)cc(O)c2)1)OC(C)=O)O 
M  END
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