Mol:FL3FAICS0001

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FL3FAICS0001.png

 
 
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  30  31 
M  SBL   3  1  33 
M  SMT   3  CH2OH 
M  SVB   3 33   -3.0131   -0.4538 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  34  35 
M  SBL   2  1  37 
M  SMT   2  OCH3 
M  SVB   2 37    2.8257     1.856 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  32  33 
M  SBL   1  1  35 
M  SMT   1  OCH3 
M  SVB   1 35    3.3476    0.0528 
S  SKP  8 
ID	FL3FAICS0001 
KNApSAcK_ID	C00006151 
NAME	Isopyrenin;6-beta-D-Glucopyranosyl-5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-4H-1-benzopyran-4-one 
CAS_RN	61252-85-5 
FORMULA	C23H24O12 
EXACTMASS	492.126776232 
AVERAGEMASS	492.42946 
SMILES	[C@@H](C(CO)1)([C@@H]([C@@H]([C@H](c(c(O)2)c(O)cc(O3)c(C(=O)C=C3c(c4)cc(c(c(OC)4)O)OC)2)O1)O)O)O 
M  END
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