Mol:FL7AADGL0012

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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  38  39
M  SBL   2  1  41
M  SMT   2  OCH3
M  SVB   2 41   -0.1763    2.8475
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  3  35  36  37
M  SBL   1  1  38
M  SMT   1  COOH
M  SVB   1 38    3.7759   -2.0328
S  SKP  8
ID	FL7AADGL0012
KNApSAcK_ID	C00006860
NAME	Peonidin 3-(6''-malonylglucoside)
CAS_RN	122856-11-5
FORMULA	C25H25O14
EXACTMASS	549.124430508
AVERAGEMASS	549.4576
SMILES	O=C(CC(O)=O)OC[C@H]([C@H](O)4)O[C@H](C(C(O)4)O)Oc(c2)c(c(c3)cc(c(c3)O)OC)[o+1]c(c21)cc(cc1O)O
M  END

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