Mol:FL3FA9NC0003

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 33 37  0  0  0  0  0  0  0  0999 V2000 
   -1.5018   -0.6476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5018   -1.2900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9455   -1.6112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3892   -1.2900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3892   -0.6476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9455   -0.3265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1671   -1.6112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7234   -1.2900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7234   -0.6476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1671   -0.3265    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1671   -2.1120    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2795   -0.3266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8465   -0.6539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4135   -0.3266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4135    0.3281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8465    0.6555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2795    0.3281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0790    0.3019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7179    0.3690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9791   -0.2178    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8178    0.8887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2951    1.3185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8514    0.9973    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4135    0.3690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5611    0.1631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7949    2.1842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0801    2.1210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2848    0.8887    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1070    1.4355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7683    1.4355    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0705    2.0977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3819   -1.7717    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6674   -2.1842    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  2  0  0  0  0 
  9 10  1  0  0  0  0 
 10  5  1  0  0  0  0 
  7 11  2  0  0  0  0 
  9 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 17  2  0  0  0  0 
 17 12  1  0  0  0  0 
  6 18  1  0  0  0  0 
 18 19  1  0  0  0  0 
 19 20  1  0  0  0  0 
 20  1  1  0  0  0  0 
 18 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
 22 23  1  0  0  0  0 
 23 19  1  0  0  0  0 
 19 24  1  1  0  0  0 
 18 25  1  1  0  0  0 
 22 26  1  0  0  0  0 
 22 27  1  0  0  0  0 
 21 28  1  0  0  0  0 
 28 29  1  0  0  0  0 
 29 30  2  0  0  0  0 
 29 31  1  0  0  0  0 
  3 32  1  0  0  0  0 
 32 33  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  32  33 
M  SBL   1  1  36 
M  SMT   1 OCH3 
M  SBV   1 36   -7.5028    7.1118 
S  SKP  8 
ID	FL3FA9NC0003 
KNApSAcK_ID	C00004097 
NAME	Enantiomultijugin;(7aR,10S,10aS)-rel-(-)-10-(Acetyloxy)-7a,9,10,10a-tetrahydro-5-methoxy-9,9-dimethyl-2-phenyl-4H-furo[3',2':4,5]furo[2,3-h]-1-benzopyran-4-one 
CAS_RN	145264-18-2 
FORMULA	C24H22O7 
EXACTMASS	422.136553058 
AVERAGEMASS	422.42728 
SMILES	C(c23)([H])(C(OC(C)=O)1)C(Oc(cc(c(C(=O)4)c(OC(c(c5)cccc5)=C4)3)OC)2)(OC(C)(C)1)[H] 
M  END