Mol:FL5FAAGS0109

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

FL5FAAGS0109.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 54 59  0  0  0  0  0  0  0  0999 V2000
    2.4700    3.2445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4700    2.4195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1845    2.0070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8990    2.4195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8990    3.2445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1845    3.6570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7556    2.0070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0411    2.4195    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3266    2.0070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3266    1.1820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0411    0.7695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7556    1.1820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3878    2.4195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1023    2.0070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1023    1.1820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3878    0.7695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0411    0.0512    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8168    2.4195    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3619    0.8319    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4997    3.5913    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3878    0.0699    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8107   -0.2776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8107    0.5469    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4816   -0.7148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1416   -0.7143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7220   -0.1457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5249    0.6473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1156    1.2233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9104    0.9990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1132    0.2002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5225   -0.3758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4997    1.5764    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4497   -2.2388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2747   -2.2388    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4671   -3.1991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7688   -3.6295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0374   -3.2348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0218   -2.4031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7021   -2.0074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4057   -2.4347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3874   -3.2613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6634   -3.6570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1317   -2.0428    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7570   -1.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5587   -1.4420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9582   -0.7201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6697   -0.3025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8679   -0.1079    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4684   -0.8298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9363   -0.5392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4048   -0.6953    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7733   -1.9304    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0618   -1.5879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3029   -1.2856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12  7  2  0  0  0  0
  9 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
 14 18  1  0  0  0  0
 11 17  2  0  0  0  0
 12 19  1  0  0  0  0
  5 20  1  0  0  0  0
 16 21  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 26  1  0  0  0  0
 29 32  1  0  0  0  0
 33 34  2  0  0  0  0
 33 35  1  0  0  0  0
 35 36  2  0  0  0  0
 36 37  1  0  0  0  0
 37 38  2  0  0  0  0
 38 39  1  0  0  0  0
 39 40  2  0  0  0  0
 40 41  1  0  0  0  0
 41 42  2  0  0  0  0
 42 37  1  0  0  0  0
 40 43  1  0  0  0  0
 44 45  1  1  0  0  0
 45 46  1  1  0  0  0
 47 46  1  1  0  0  0
 47 48  1  0  0  0  0
 48 49  1  0  0  0  0
 49 44  1  0  0  0  0
 49 50  1  0  0  0  0
 50 51  1  0  0  0  0
 44 52  1  0  0  0  0
 45 53  1  0  0  0  0
 46 54  1  0  0  0  0
 47 19  1  0  0  0  0
 51 22  1  0  0  0  0
 33 53  1  0  0  0  0
S  SKP  8
ID	FL5FAAGS0109
KNApSAcK_ID	C00013776
NAME	Stenopalustroside A;Kaempfero 3-(3'',6''-di-(Z)-p-coumaroylglucoside);3-[[3,6-bis-O-[(2Z)-3-(4-Hydroxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
CAS_RN	218614-71-2
FORMULA	C39H32O15
EXACTMASS	740.174120354
AVERAGEMASS	740.66238
SMILES	c(c6)c(ccc6O)C(O4)=C(C(=O)c(c(O)5)c4cc(O)c5)OC(O1)C(C(OC(=O)C=Cc(c3)ccc(c3)O)C(O)C(COC(=O)C=Cc(c2)ccc(c2)O)1)O
M  END

</pre>

Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox