Mol:FL7AADGL0014

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Copyright: ARM project http://www.metabolome.jp/
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M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  44  45
M  SBL   1  1  48
M  SMT   1  OCH3
M  SVB   1 48   -0.8311    3.2926
S  SKP  8
ID	FL7AADGL0014
KNApSAcK_ID	C00006862
NAME	Peonidin 3-(6''-caffeylgucoside)
CAS_RN	164584-53-6,68795-38-0
FORMULA	C31H29O14
EXACTMASS	625.155730636
AVERAGEMASS	625.5535600000001
SMILES	c(c(c5)ccc(O)c5OC)([o+1]4)c(cc(c34)c(O)cc(c3)O)O[C@@H](C(O)1)O[C@H](COC(=O)C=Cc(c2)ccc(O)c2O)[C@H](O)C(O)1
M  END

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