Mol:FL5FECGS0036

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Copyright: ARM project http://www.metabolome.jp/
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M  STY  1   5 SUP
M  SLB  1   5   5
M  SAL   5  2  31  32
M  SBL   5  1  34
M  SMT   5  CH2OH
M  SVB   5 34    1.2583    1.8945
M  STY  1   4 SUP
M  SLB  1   4   4
M  SAL   4  2  37  38
M  SBL   4  1  40
M  SMT   4  OCH3
M  SVB   4 40   -2.3151    -0.615
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  35  36
M  SBL   3  1  38
M  SMT   3  OCH3
M  SVB   3 38    0.4662   -2.0824
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  33  34
M  SBL   2  1  36
M  SMT   2  OCH3
M  SVB   2 36   -2.5415   -2.4167
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  29  30
M  SBL   1  1  32
M  SMT   1  OCH3
M  SVB   1 32    2.5415    0.0609
S  SKP  8
ID	FL5FECGS0036
KNApSAcK_ID	C00005683
NAME	Casticin 3'-glucoside
CAS_RN	71827-14-0
FORMULA	C25H28O13
EXACTMASS	536.152990982
AVERAGEMASS	536.48202
SMILES	O(C)c(c3O[C@H](O4)[C@H]([C@@H](O)[C@H](C4CO)O)O)ccc(c3)C(=C2OC)Oc(c1)c(C2=O)c(O)c(OC)c1OC
M  END

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