Mol:FL7AAIGL0006

<pre>

Copyright: ARM project http://www.metabolome.jp/
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M  STY  1   4 SUP
M  SLB  1   4   4
M  SAL   4  2  45  46
M  SBL   4  1  49
M  SMT   4  CH2OH
M  SVB   4 49   -3.7422    0.8224
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  39  40
M  SBL   3  1  43
M  SMT   3  CH2OH
M  SVB   3 43    3.7222    -1.512
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  43  44
M  SBL   2  1  47
M  SMT   2  OCH3
M  SVB   2 47    2.3426    1.9245
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  41  42
M  SBL   1  1  45
M  SMT   1  OCH3
M  SVB   1 45    2.8357    0.1601
S  SKP  8
ID	FL7AAIGL0006
KNApSAcK_ID	C00006742
NAME	Malvidin 3,7-diglucoside
CAS_RN	96407-95-3
FORMULA	C29H35O17
EXACTMASS	655.187424694
AVERAGEMASS	655.578
SMILES	[o+1](c(c(c5)cc(OC)c(O)c(OC)5)1)c(c3)c(c(cc3O[C@H](O4)[C@H]([C@@H](O)[C@@H](O)C4CO)O)O)cc1O[C@@H](C(O)2)O[C@@H]([C@H](O)C2O)CO
M  END

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