Mol:FL7AAAGL0029

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M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  62  63 
M  SBL   1  1  68 
M  SMT   1 ^CH2OH 
M  SBV   1 68   -7.1339    7.4519 
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  SBV   2 70   -7.1339    7.4519 
S  SKP  8 
ID	FL7AAAGL0029 
KNApSAcK_ID	C00006768 
NAME	Pelargonidin 3-[6-(3-glucosylcaffeyl)glucoside]-5-glucoside 
CAS_RN	154850-21-2 
FORMULA	C42H47O23 
EXACTMASS	919.25081281 
AVERAGEMASS	919.8087800000001 
SMILES	c(c(OC(O7)C(C(O)C(O)C7CO)O)1)(ccc(C=CC(=O)OCC(C2O)OC(Oc(c(c(c6)ccc(c6)O)3)cc(c(OC(C5O)OC(C(O)C5O)CO)4)c(cc(O)c4)[o+1]3)C(C2O)O)c1)O 
M  END
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