Mol:FL7AACGL0073

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FL7AACGL0073.png 

<pre>

Copyright: ARM project http://www.metabolome.jp/
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M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  50  51
M  SBL   1  1  54
M  SMT   1  CH2OH
M  SVB   1 54   -4.1012    0.8727
S  SKP  8
ID	FL7AACGL0073
KNApSAcK_ID	C00006849
NAME	Cyanidin 3-(6'',6'''-dicaffeylsophoroside)-5-glucoside
CAS_RN	170717-21-2,36570-76-0
FORMULA	C51H53O27
EXACTMASS	1097.27742149
AVERAGEMASS	1097.95032
SMILES	O=C(C=Cc(c8)cc(O)c(c8)O)OC[C@H]([C@H](O)1)O[C@@H](Oc(c6c(c7)ccc(c(O)7)O)cc(c([o+1]6)5)c(cc(O)c5)O[C@H](O4)[C@H]([C@@H](O)[C@H](C4CO)O)O)C(O[C@@H](O2)[C@H](O)[C@@H]([C@@H](C2COC(=O)C=Cc(c3)cc(O)c(c3)O)O)O)C(O)1
M  END

</pre>

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