Mol:FLIDHXNS0009

Revision as of 09:00, 7 October 2008

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Copyright: ARM project http://www.metabolome.jp/
 22 25  0  0  0  0  0  0  0  0999 V2000
   -2.1830    0.9739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1830    0.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6267    0.0104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0704    0.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.6267    1.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5141    0.0104    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.0422    0.3315    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.0422    0.9739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5141    1.2951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5983    0.0105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5983   -0.6763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1931   -1.0197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7879   -0.6763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7879    0.0105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1931    0.3539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5083   -0.6761    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7393    1.2951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5956    0.6510    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1931    1.0400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6539   -1.1763    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200   -1.6763    0.0000 C   0  0  0  0  0  0  0  0  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  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 11  2  0  0  0  0
  7 17  1  0  0  0  0
  1  2  1  0  0  0  0
 12 17  1  0  0  0  0
  1 18  1  0  0  0  0
  8 19  1  0  0  0  0
 16 20  1  0  0  0  0
 14 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  21  22
M  SBL   1  1  24
M  SMT   1  OCH3
M  SVB   1 24    2.0248   -0.8826
S  SKP  8
ID	FLIDHXNS0009
KNApSAcK_ID	C00009678
NAME	6a,7-Dihydroxymedicarpin;3,6a,7-Trihydroxy-9-methoxypterocarpan
CAS_RN	61135-98-6
FORMULA	C16H14O6
EXACTMASS	302.07903818
AVERAGEMASS	302.27876000000003
SMILES	COc(c4)cc(O1)c(c(O)4)C(O)(C2)C1c(c3)c(cc(O)c3)O2
M  END

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