Mol:FL1DA9NR0002

<pre>

Copyright: ARM project http://www.metabolome.jp/
 36 40  0  0  0  0  0  0  0  0999 V2000
    2.2247   -0.1203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2247   -0.7627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7810   -1.0839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3373   -0.7627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3373   -0.1203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7810    0.2009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0915   -0.7420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6478   -1.0632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5354   -1.0631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0255   -0.7295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5354   -1.7039    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0255   -0.0914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5782    0.2277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1308   -0.0914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1308   -0.7295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5782   -1.0486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5782   -1.6866    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5782    0.8658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1308    1.1849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6835    0.8658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6835    0.2277    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1371    1.5503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5596    1.2409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1435    1.2010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5954    0.8697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6160    0.2509    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1420    1.4163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2377    0.8697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2782    1.7039    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2992    1.0308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1280    0.5484    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6833   -1.0485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2347   -0.7302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7860   -1.0485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3373   -0.7302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7860   -1.6851    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
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
  2  8  1  0  0  0  0
 10 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 10  1  0  0  0  0
 16 17  1  0  0  0  0
 13 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 14  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 18  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 12  1  0  0  0  0
 25 27  1  0  0  0  0
 25 28  1  0  0  0  0
 24 29  1  1  0  0  0
 20 30  1  1  0  0  0
 18 31  1  6  0  0  0
 15 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
 34 36  1  0  0  0  0
S  SKP  8
ID	FL1DA9NR0002
KNApSAcK_ID	C00007158
NAME	3'-Prenylrubranine
CAS_RN	116133-67-6
FORMULA	C30H34O4
EXACTMASS	458.24570957599997
AVERAGEMASS	458.58856000000003
SMILES	C(c(c5)cccc5)=CC(=O)c(c42)c(O)c(c(c41)OC(C3)(C)CC1(C([H])(C3)C(O2)(C)C)[H])CC=C(C)C
M  END

</pre>