Mol:FL7AAIGL0013

<pre>

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  46  47
M  SBL   2  1  50
M  SMT   2  OCH3
M  SVB   2 50   -0.8311    3.0289
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  44  45
M  SBL   1  1  48
M  SMT   1  OCH3
M  SVB   1 48    -0.338    1.2645
S  SKP  8
ID	FL7AAIGL0013
KNApSAcK_ID	C00006904
NAME	Malvidin 3-(6''-p-caffeyglucoside)
CAS_RN	129016-23-5,68795-36-8
FORMULA	C32H31O15
EXACTMASS	655.166295322
AVERAGEMASS	655.57954
SMILES	c(C=CC(OC[C@@H](O2)[C@@H](C(O)C(O)[C@H](Oc(c4c(c5)cc(OC)c(c(OC)5)O)cc(c([o+1]4)3)c(O)cc(c3)O)2)O)=O)(c1)cc(c(O)c1)O
M  END

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