Mol:FL5FADGL0007

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Copyright: ARM project http://www.metabolome.jp/
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M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  42  43
M  SBL   3  1  46
M  SMT   3  CH2OH
M  SVB   3 46   -0.5913   -2.3721
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  40  41
M  SBL   2  1  44
M  SMT   2  CH2OH
M  SVB   2 44    3.2506    0.0078
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     0.772    2.9385
S  SKP  8
ID	FL5FADGL0007
KNApSAcK_ID	C00005544
NAME	Isorhamnetin 3-sophoroside
CAS_RN	74137-43-2
FORMULA	C28H32O17
EXACTMASS	640.163949598
AVERAGEMASS	640.54348
SMILES	OC[C@H]([C@H](O)1)O[C@@H](OC(=C4c(c5)cc(OC)c(O)c5)C(=O)c(c3O4)c(cc(c3)O)O)C(O[C@@H](O2)[C@H](O)[C@@H]([C@@H](C2CO)O)O)C1O
M  END

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