Mol:FLIFHXNI0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 30 33  0  0  0  0  0  0  0  0999 V2000 
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  3  4  1  0  0  0  0 
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 29 30  1  0  0  0  0 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  29  30 
M  SBL   2  1  32 
M  SMT   2  OCH3 
M  SVB   2 32    2.0247   -1.6914 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  27  28 
M  SBL   1  1  30 
M  SMT   1  OCH3 
M  SVB   1 30    0.7756   -2.0001 
S  SKP  8 
ID	FLIFHXNI0001 
KNApSAcK_ID	C00009980 
NAME	cis-12a-Hydroxyrot-2'-enonic acid 
CAS_RN	82784-44-9 
FORMULA	C23H24O7 
EXACTMASS	412.152203122 
AVERAGEMASS	412.43246 
SMILES	c(c(O)4)cc(c(c4CC=C(C)C)3)C(=O)C(C2O3)(O)c(c1)c(OC2)cc(c1OC)OC 
M  END