Mol:FL7AAHGL0010

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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  39  40
M  SBL   2  1  42
M  SMT   2  OCH3
M  SVB   2 42   -0.2878    2.7548
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  3  35  38  36
M  SBL   1  1  38
M  SMT   1  COOH
M  SVB   1 38    3.9972   -2.0326
S  SKP  8
ID	FL7AAHGL0010
KNApSAcK_ID	C00006895
NAME	Petunidin 3-(6''-malonylglucoside)
CAS_RN	122856-10-4
FORMULA	C25H25O15
EXACTMASS	565.11934513
AVERAGEMASS	565.457
SMILES	O=C(CC(O)=O)OC[C@H]([C@H](O)1)O[C@@H](Oc(c4)c([o+1]c(c34)cc(cc(O)3)O)c(c2)cc(O)c(c2OC)O)C(C(O)1)O
M  END

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