Mol:FL7AACGL0066

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Copyright: ARM project http://www.metabolome.jp/
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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

</pre>

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