Mol:FL3FRNNR0006

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

FL3FRNNR0006.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 28 31  0  0  0  0  0  0  0  0999 V2000
   -0.7371   -0.2563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7324    0.5687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0273   -0.6729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6919   -0.2644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6965    0.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0156    0.9771    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1255    0.5525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4134    0.9690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4422    0.9852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1613    0.5768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1660   -0.2482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4562   -0.6648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8345    0.9739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8317    1.8116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1194    2.2285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4103    1.8070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4562   -1.4897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0273   -1.4979    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5462    2.2241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0733   -0.8162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7996   -0.7995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1293   -0.2552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2121   -1.5140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4979   -1.9264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9268   -1.1014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6246   -2.2285    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8317    0.9638    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5462    0.5513    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
 14 19  1  0  0  0  0
  4 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22  7  1  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 23 26  1  0  0  0  0
 10 27  1  0  0  0  0
 27 28  1  0  0  0  0
S  SKP  8
ID	FL3FRNNR0006
KNApSAcK_ID	C00013502
NAME	Oxyisocyclointegrin;6,7-Dihydro-3,9-dihydroxy-6-(1-hydroxy-1-methylethyl)-11-methoxy-8H-[1]benzopyrano[3,2-d][1]benzoxepin-8-one
CAS_RN	60791-47-1
FORMULA	C21H20O7
EXACTMASS	384.120902994
AVERAGEMASS	384.37929999999994
SMILES	C(C=24)C(Oc(c1)c(C2Oc(c3)c(C4=O)c(cc(OC)3)O)ccc(O)1)C(C)(C)O
M  END

</pre>

Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox