Mol:FL7AAGGL0014

<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  54  55
M  SBL   3  1  59
M  SMT   3  CH2OH
M  SVB   3 59   -3.8144   -0.0632
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  52  53
M  SBL   2  1  57
M  SMT   2  CH2OH
M  SVB   2 57    3.7944   -2.4182
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  50  51
M  SBL   1  1  55
M  SMT   1  CH2OH
M  SVB   1 55    0.5231    2.2473
S  SKP  8
ID	FL7AAGGL0014
KNApSAcK_ID	C00006719
NAME	Delphinidin 3,7,3'-triglucoside
CAS_RN	64963-58-2
FORMULA	C33H41O22
EXACTMASS	789.208947996
AVERAGEMASS	789.66544
SMILES	C(O1)(CO)[C@@H]([C@@H]([C@@H]([C@@H]1Oc(c2)cc([o+1]4)c(cc(c4c(c5)cc(O)c(c5O[C@@H]([C@@H](O)6)OC(CO)[C@@H]([C@@H]6O)O)O)O[C@@H](C3O)O[C@H](CO)[C@@H](C(O)3)O)c(O)2)O)O)O
M  END

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