Mol:FL3FACDS0003

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FL3FACDS0003.png

 
 
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M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  40  41 
M  SBL   1  1  44 
M  SMT   1 ^CH2OH 
M  SBV   1 44   -6.7725    6.1966 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  42  43 
M  SBL   2  1  46 
M  SMT   2 CH2OH 
M  SBV   2 46   -5.8588    5.7100 
S  SKP  8 
ID	FL3FACDS0003 
KNApSAcK_ID	C00006202 
NAME	Orientin 7-glucoside 
CAS_RN	61361-16-8 
FORMULA	C27H30O16 
EXACTMASS	610.153384912 
AVERAGEMASS	610.5175 
SMILES	C(C1O)(C(O)C(c(c42)c(OC(C5O)OC(C(O)C5O)CO)cc(O)c2C(C=C(O4)c(c3)ccc(O)c3O)=O)OC1CO)O 
M  END
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