Mol:FL4DALNP0001

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FL4DALNP0001.png

 
 
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 28 31  0  0  0  0  0  0  0  0999 V2000 
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    1.8245    0.5268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1897    0.8932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    2.4592    1.6261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8245    1.9926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1897    1.6261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6181    2.2192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0322    1.4726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.0322   -0.2862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9530   -2.1048    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6762   -2.2192    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6537   -1.6558    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1978    1.1455    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9123    0.7330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  2  0  0  0  0 
  2  3  1  0  0  0  0 
  3  4  2  0  0  0  0 
  4  5  1  0  0  0  0 
  5  6  2  0  0  0  0 
  6  1  1  0  0  0  0 
  2  7  1  0  0  0  0 
  7  8  1  0  0  0  0 
  8  9  1  0  0  0  0 
  9 10  1  0  0  0  0 
 10  3  1  0  0  0  0 
 11 12  2  0  0  0  0 
 12 13  1  0  0  0  0 
 13 14  2  0  0  0  0 
 14 15  1  0  0  0  0 
 15 16  2  0  0  0  0 
 16 11  1  0  0  0  0 
  9 11  1  1  0  0  0 
 14 17  1  0  0  0  0 
 17 18  1  0  0  0  0 
 18 19  1  0  0  0  0 
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 18 22  1  0  0  0  0 
  5 23  1  0  0  0  0 
  1 24  1  0  0  0  0 
  7 25  2  0  0  0  0 
  8 26  1  6  0  0  0 
 16 27  1  0  0  0  0 
 27 28  1  0  0  0  0 
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  SBV   1 30   -5.7835    5.4781 
S  SKP  8 
ID	FL4DALNP0001 
KNApSAcK_ID	C00008635 
NAME	(2S,3S)-3,5,7-Trihydroxy-2'-methoxy-6'',6''-dimethylpyrano[2'',3'':4',3']flavanone 
CAS_RN	- 
FORMULA	C21H20O7 
EXACTMASS	384.120902994 
AVERAGEMASS	384.37929999999994 
SMILES	O(c43)C(C(C(=O)c3c(cc(O)c4)O)O)c(c2)c(c(c(c2)1)C=CC(C)(C)O1)OC 
M  END
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