Mol:FL7AACGL0101

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FL7AACGL0101.png 

 
 
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M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  74  75 
M  SBL   2  1  81 
M  SMT   2  CH2OH 
M  SVB   2 81    8.1008   -2.3298 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  28  29 
M  SBL   1  1  31 
M  SMT   1  CH2OH 
M  SVB   1 31   -4.6595     1.411 
S  SKP  8 
ID	FL7AACGL0101 
KNApSAcK_ID	C00011110 
NAME	Cyanidin 3-O-[2-O-(6-O-(trans-3-O-(beta-D-glucopyranosyl)caffeyl)-beta-D-glucopyranosyl)-6-O-(trans-4-O-(6-O-(trans-caffeyl)-beta-D-glucopyranposyl)caffeyl)-beta-D-glucopyranoside]-5-O-[beta-D-glucopyranoside] 
CAS_RN	756795-04-7 
FORMULA	C72H79O40 
EXACTMASS	1583.414762408 
AVERAGEMASS	1584.37366 
SMILES	c(O)(c(O)%11)cc(cc%11)c(c1O[C@@H]([C@H]4O[C@H](O8)C(O)C(O)[C@@H](O)[C@@H](COC(C=Cc(c%10)cc(c(O)c%10)O[C@H](O9)C(O)C([C@H]([C@@H](CO)9)O)O)=O)8)OC(COC(=O)C=Cc(c7)cc(c(c7)O[C@H](O5)[C@@H](O)[C@H]([C@H](C5COC(C=Cc(c6)ccc(O)c(O)6)=O)O)O)O)[C@@H]([C@@H]4O)O)[o+1]c(c2)c(c(O[C@H](O3)[C@H]([C@H]([C@@H](O)C3CO)O)O)cc2O)c1 
M  END
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