Mol:FL3FFGNS0006

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FL3FFGNS0006.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
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M  STY  1   6 SUP
M  SLB  1   6   6
M  SAL   6  2  28  29
M  SBL   6  1  30
M  SMT   6  OCH3
M  SVB   6 30     1.212    1.7079
M  STY  1   5 SUP
M  SLB  1   5   5
M  SAL   5  2  26  27
M  SBL   5  1  28
M  SMT   5  OCH3
M  SVB   5 28   -1.5853    0.7229
M  STY  1   4 SUP
M  SLB  1   4   4
M  SAL   4  2  24  25
M  SBL   4  1  26
M  SMT   4  OCH3
M  SVB   4 26    1.7052   -0.0565
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  22  23
M  SBL   3  1  24
M  SMT   3  OCH3
M  SVB   3 24   -2.7769    0.4474
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  20  21
M  SBL   2  1  22
M  SMT   2  OCH3
M  SVB   2 22   -2.2998   -1.2954
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  18  19
M  SBL   1  1  20
M  SMT   1  OCH3
M  SVB   1 20    2.0624    1.1317
S  SKP  8
ID	FL3FFGNS0006
KNApSAcK_ID	C00003962
NAME	Bannamurpanisin
CAS_RN	80324-51-2
FORMULA	C21H22O8
EXACTMASS	402.13146768
AVERAGEMASS	402.39458
SMILES	c(c31)(C(=O)C=C(O3)c(c2)cc(OC)c(OC)c2OC)c(cc(c1OC)OC)OC
M  END

</pre>

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