Mol:FL7AAAGL0025

<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  47  48
M  SBL   2  1  51
M  SMT   2  CH2OH
M  SVB   2 51    3.6854   -0.9622
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  3  43  44  45
M  SBL   1  1  47
M  SMT   1  COOH
M  SVB   1 47   -3.9599    1.0045
S  SKP  8
ID	FL7AAAGL0025
KNApSAcK_ID	C00006764
NAME	Pelargonidin 3-glucoside-5-(6'''-malonylglucoside)
CAS_RN	167774-88-1
FORMULA	C30H33O18
EXACTMASS	681.166689252
AVERAGEMASS	681.57222
SMILES	c(c21)c(O[C@@H](C(O)5)O[C@@H]([C@@H](C5O)O)CO)c(c(c4)ccc(O)c4)[o+1]c1cc(cc(O[C@H](O3)[C@@H](O)[C@H]([C@@H](O)C3COC(CC(O)=O)=O)O)2)O
M  END

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