Mol:FL7AAIGL0011

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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  40  41
M  SBL   3  1  43
M  SMT   3  OCH3
M  SVB   3 43    0.3038    0.7532
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  38  39
M  SBL   2  1  41
M  SMT   2  OCH3
M  SVB   2 41   -0.1893    2.5176
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  3  35  37  36
M  SBL   1  1  38
M  SMT   1  COOH
M  SVB   1 38    3.9307   -1.9397
S  SKP  8
ID	FL7AAIGL0011
KNApSAcK_ID	C00006902
NAME	Malvidin 3-(6''-malonylglucoside)
CAS_RN	122856-12-6
FORMULA	C26H27O15
EXACTMASS	579.134995194
AVERAGEMASS	579.48358
SMILES	O([C@@H](C(O)4)O[C@H](COC(=O)CC(O)=O)[C@H](O)C4O)c(c3)c([o+1]c(c23)cc(O)cc2O)c(c1)cc(OC)c(c(OC)1)O
M  END

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