Mol:FLIFHXNS0006

<pre>

Copyright: ARM project http://www.metabolome.jp/
 24 27  0  0  0  0  0  0  0  0999 V2000
   -2.1039    0.6874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1039    0.0451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5476   -0.2761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9913    0.0451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9913    0.6874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5476    1.0086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4350   -0.2761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1213    0.0451    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.1213    0.6874    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.4350    1.0086    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6774   -0.2760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6774   -0.9628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2722   -1.3062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8670   -0.9628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8670   -0.2760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2722    0.0674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6774    1.0085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4350   -0.9182    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2786    0.6874    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1213   -0.5928    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4612    0.0671    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5476   -0.9182    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4612    1.3062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9612    2.1722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  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  5  1  0  0  0  0
  8 11  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 17  1  0  0  0  0
  7 18  2  0  0  0  0
 16 19  1  0  0  0  0
 19 17  1  0  0  0  0
  8 20  1  0  0  0  0
 15 21  1  0  0  0  0
  3 22  1  0  0  0  0
  1 23  1  0  0  0  0
 23 24  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  23  24
M  SBL   1  1  26
M  SMT   1  OCH3
M  SVB   1 26   -2.4612    1.3062
S  SKP  8
ID	FLIFHXNS0006
KNApSAcK_ID	C00009983
NAME	(-)-4,11,12a-Trihydroxy-9-methoxyrotenone
CAS_RN	106915-81-5
FORMULA	C17H14O7
EXACTMASS	330.073952802
AVERAGEMASS	330.28886
SMILES	COc(c4)cc(O3)c(c(O)4)C(=O)C(O)(C23)c(c1)c(OC2)c(O)cc1
M  END

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