Mol:FL4DA9GS0001

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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   -3.3788    -1.046
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  39  40
M  SBL   1  1  43
M  SMT   1  CH2OH
M  SVB   1 43   -1.2462    -0.454
S  SKP  8
ID	FL4DA9GS0001
KNApSAcK_ID	C00008666
NAME	Pinobanksin 5-galactosyl-(1->4)-glucoside
CAS_RN	91925-95-0
FORMULA	C27H32O15
EXACTMASS	596.174120354
AVERAGEMASS	596.5339799999999
SMILES	[C@@H]([C@@H]1O[C@@H](C5CO)[C@@H]([C@H](O)[C@@H](O5)Oc(c4)c(C3=O)c(cc4O)O[C@@H]([C@@H](O)3)c(c2)cccc2)O)(O)[C@@H](O)[C@@H](O)C(O1)CO
M  END

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