Mol:FL1DACCS0001

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FL1DACCS0001.png

 
 
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M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  31  32 
M  SBL   1  1  33 
M  SMT   1 ^CH2OH 
M  SBV   1 33   -6.6797    8.0128 
S  SKP  8 
ID	FL1DACCS0001 
KNApSAcK_ID	C00006096 
NAME	Aspalathin;3-(3,4-Dihydroxyphenyl)-1-(3-beta-D-glucopyranosyl-2,4,6-trihydroxyphenyl)-1-propanone 
CAS_RN	6027-43-6 
FORMULA	C21H24O11 
EXACTMASS	452.13186161 
AVERAGEMASS	452.40866 
SMILES	c(c(O)1)(O)ccc(CCC(=O)c(c2O)c(O)cc(c2C(C(O)3)OC(CO)C(O)C3O)O)c1 
M  END
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