Mol:FL7AACGL0009

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FL7AACGL0009.png

 
 
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M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  41  42 
M  SBL   1  1  45 
M  SMT   1 CH2OH 
M  SBV   1 45   -7.5944    4.8627 
S  SKP  8 
ID	FL7AACGL0009 
KNApSAcK_ID	C00006661 
NAME	Cyanidin 3-neohesperidoside;Cyanidin 3-(2-rhamnosylglucoside) 
CAS_RN	54947-80-7 
FORMULA	C27H31O15 
EXACTMASS	595.166295322 
AVERAGEMASS	595.52604 
SMILES	Oc(c(O)1)ccc(c(c3OC(O5)C(C(C(C5CO)O)O)OC(C4O)OC(C)C(C4O)O)[o+1]c(c2c3)cc(O)cc2O)c1 
M  END
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