Mol:FLIDHXNS0011

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 24 28  0  0  0  0  0  0  0  0999 V2000 
   -2.2358    0.5497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2358   -0.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6795   -0.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1232   -0.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1232    0.5497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6795    0.8709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5669   -0.4138    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
   -0.0106   -0.0927    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
   -0.0106    0.5497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5669    0.8709    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5455   -0.4137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5455   -1.1005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1403   -1.4439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7350   -1.1005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7350   -0.4137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1403   -0.0703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5611   -1.1003    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5428    0.2268    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3882   -1.3128    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7919   -0.7571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3882   -0.2015    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7919    0.8708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4015    1.4439    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9650    2.3436    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 
  8 18  1  0  0  0  0 
 14 19  1  0  0  0  0 
 19 20  1  0  0  0  0 
 20 21  1  0  0  0  0 
 21 15  1  0  0  0  0 
  1 22  1  0  0  0  0 
  6 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  27 
M  SMT   1  OCH3 
M  SVB   1 27   -1.4015    1.4439 
S  SKP  8 
ID	FLIDHXNS0011 
KNApSAcK_ID	C00009680 
NAME	Tephrocarpin;3,6a-Dihydroxy-4-methoxy-8,9-methylenedioxypterocarpan 
CAS_RN	87402-98-0 
FORMULA	C17H14O7 
EXACTMASS	330.073952802 
AVERAGEMASS	330.28886 
SMILES	COc(c(O)5)c(O4)c(cc5)C(O1)C(O)(C4)c(c2)c(cc(O3)c(OC3)2)1 
M  END