Mol:FL3FGLNS0007

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Copyright: ARM project http://www.metabolome.jp/
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M  STY  1   7 SUP
M  SLB  1   7   7
M  SAL   7  2  31  32
M  SBL   7  1  33
M  SMT   7  OCH3
M  SVB   7 33     0.183     1.384
M  STY  1   6 SUP
M  SLB  1   6   6
M  SAL   6  2  29  30
M  SBL   6  1  31
M  SMT   6  OCH3
M  SVB   6 31   -2.1212   -1.3346
M  STY  1   5 SUP
M  SLB  1   5   5
M  SAL   5  2  27  28
M  SBL   5  1  29
M  SMT   5  OCH3
M  SVB   5 29     2.241    1.0925
M  STY  1   4 SUP
M  SLB  1   4   4
M  SAL   4  2  25  26
M  SBL   4  1  27
M  SMT   4  OCH3
M  SVB   4 27   -2.5983    0.4082
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  23  24
M  SBL   3  1  25
M  SMT   3  OCH3
M  SVB   3 25    1.8838   -0.0957
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  21  22
M  SBL   2  1  23
M  SMT   2  OCH3
M  SVB   2 23   -1.4067    0.6837
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  19  20
M  SBL   1  1  21
M  SMT   1  OCH3
M  SVB   1 21   -2.9555   -0.7614
S  SKP  8
ID	FL3FGLNS0007
KNApSAcK_ID	C00003981
NAME	Agehoustin C
CAS_RN	97564-57-3
FORMULA	C22H24O10
EXACTMASS	448.136946988
AVERAGEMASS	448.41996000000006
SMILES	c(C2=O)(c(OC)3)c(c(OC)c(OC)c(OC)3)OC(=C2)c(c1OC)cc(c(OC)c(O)1)OC
M  END

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