Mol:FL5FABNI0003

From Metabolomics.JP
Revision as of 09:00, 7 October 2008 by Editor (Talk | contribs)

(diff) ← Older revision | Latest revision (diff) | Newer revision → (diff)
Jump to: navigation, search

FL5FABNI0003.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 29 31  0  0  0  0  0  0  0  0999 V2000
   -1.4078   -1.6352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4175   -0.8103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6960   -2.0395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0186   -1.6229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0129   -0.7960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7079   -0.3894    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4438   -0.7977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7274   -0.3835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1292   -0.4061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8440   -0.8228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8369   -1.6517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1244   -2.0563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1498   -0.3563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1307    0.4840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4128    0.8856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7112    0.4518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1244   -2.8813    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6960   -2.8644    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7330   -2.0354    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5584   -0.4103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1292    0.4189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8450    0.8322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8452    0.8965    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8450    1.6438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4702    1.8113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1059    1.8418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5584    0.4847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8450    2.4688    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1305    2.8813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  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  2  1  0  0  0  0
  7  8  1  0  0  0  0
  8  5  1  0  0  0  0
  2  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12  1  2  0  0  0  0
  7 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  8  2  0  0  0  0
 12 17  1  0  0  0  0
  3 18  2  0  0  0  0
  4 19  1  0  0  0  0
 10 20  1  0  0  0  0
  9 21  1  0  0  0  0
 21 22  1  0  0  0  0
 23 14  1  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 23 27  1  0  0  0  0
 24 28  1  0  0  0  0
 28 29  1  0  0  0  0
S  SKP  8
ID	FL5FABNI0003
KNApSAcK_ID	C00013519
NAME	Brevicornin;3,5,7-Trihydroxy-8-(3-methoxy-3-methylbutyl)-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one
CAS_RN	173792-49-9
FORMULA	C22H24O7
EXACTMASS	400.152203122
AVERAGEMASS	400.42176000000006
SMILES	O(C)c(c3)ccc(c3)C(=C(O)1)Oc(c2CCC(OC)(C)C)c(c(O)cc2O)C1=O
M  END

</pre>

Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox