Mol:FL7AAIGL0007

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FL7AAIGL0007.png 

<pre>

Copyright: ARM project http://www.metabolome.jp/
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M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  56  57
M  SBL   3  1  61
M  SMT   3  CH2OH
M  SVB   3 61   -0.5967   -1.2531
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  54  55
M  SBL   2  1  59
M  SMT   2  OCH3
M  SVB   2 59    1.4025    1.5702
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  52  53
M  SBL   1  1  57
M  SMT   1  OCH3
M  SVB   1 57    0.9094    3.3346
S  SKP  8
ID	FL7AAIGL0007
KNApSAcK_ID	C00006743
NAME	Malvidin 3-gentiotrioside
CAS_RN	-
FORMULA	C35H45O22
EXACTMASS	817.240248124
AVERAGEMASS	817.7186
SMILES	[C@H](OCC([C@@H]6O)O[C@H]([C@H]([C@@H](O)6)O)OC[C@@H](O2)[C@H](O)C(O)C([C@@H]2Oc(c3)c(c(c5)cc(OC)c(c(OC)5)O)[o+1]c(c4)c3c(cc(O)4)O)O)(O1)[C@H]([C@@H](O)[C@H](C1CO)O)O
M  END

</pre>

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