Mol:FL7AADGL0005

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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  41  42
M  SBL   2  1  45
M  SMT   2  CH2OH
M  SVB   2 45    4.1855   -2.0045
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  43  44
M  SBL   1  1  47
M  SMT   1  OCH3
M  SVB   1 47   -0.7122     2.417
S  SKP  8
ID	FL7AADGL0005
KNApSAcK_ID	C00006685
NAME	Peonidin 3-gentiobioside
CAS_RN	-
FORMULA	C28H33O16
EXACTMASS	625.176860008
AVERAGEMASS	625.55202
SMILES	C([C@@H](O)1)(C(O)[C@H](OC[C@@H](O2)[C@H](O)C(C(O)[C@H](Oc(c3)c(c(c5)ccc(c5OC)O)[o+1]c(c4)c3c(cc4O)O)2)O)O[C@H](CO)1)O
M  END

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