http://metabolomics.jp/mediawiki/index.php?action=history&feed=atom&title=Mol%3AFL5FAAGL0021
Mol:FL5FAAGL0021 - Revision history
2026-05-17T00:54:23Z
Revision history for this page on the wiki
MediaWiki 1.19.1
http://metabolomics.jp/mediawiki/index.php?title=Mol:FL5FAAGL0021&diff=187985&oldid=prev
Editor at 00:00, 14 March 2009
2009-03-14T00:00:00Z
<p></p>
<a href="http://metabolomics.jp/mediawiki/index.php?title=Mol:FL5FAAGL0021&diff=187985&oldid=187984">Show changes</a>
Editor
http://metabolomics.jp/mediawiki/index.php?title=Mol:FL5FAAGL0021&diff=187984&oldid=prev
Editor at 00:00, 7 October 2008
2008-10-07T00:00:00Z
<p></p>
<p><b>New page</b></p><div><pre><br />
<br />
Copyright: ARM project http://www.metabolome.jp/<br />
54 59 0 0 0 0 0 0 0 0999 V2000<br />
-3.9658 1.2175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
-3.9658 0.5752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
-3.4095 0.2540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
-2.8531 0.5752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
-2.8531 1.2175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
-3.4095 1.5387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
-2.2968 0.2540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
-1.7405 0.5752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
-1.7405 1.2175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
-2.2968 1.5387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
-2.2968 -0.2468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
-1.1844 1.5386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
-0.6175 1.2113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
-0.0505 1.5386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
-0.0505 2.1933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
-0.6175 2.5206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
-1.1844 2.1933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
-3.4095 -0.3881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
-4.5219 1.5386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
0.5163 2.5205 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
-1.3464 0.1863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
-0.5458 -1.8954 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0<br />
-0.0601 -1.4097 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0<br />
-0.4002 -0.8130 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0<br />
-0.4002 -0.1262 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0<br />
-0.8859 -0.6118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
-0.5458 -1.2087 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0<br />
-0.7671 -2.5037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
0.2847 -2.1488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
0.2624 -0.2881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
1.9095 -1.5485 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0<br />
2.5377 -1.1858 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0<br />
1.8340 -1.0097 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0<br />
1.3260 -0.4862 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0<br />
0.6977 -0.8488 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0<br />
1.4014 -1.0250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
0.9340 -0.2598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
2.2960 -0.7430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
2.9940 -1.6420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
2.2235 0.4738 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0<br />
2.6659 -0.1102 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0<br />
3.3030 0.1376 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0<br />
3.9177 0.1442 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0<br />
3.4710 0.5910 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0<br />
2.9137 0.2969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
1.9762 -0.1437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
3.6680 -0.4752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
4.6127 0.0834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
-1.0561 -1.6929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
-1.7705 -1.2804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
1.8965 -1.9384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
1.8965 -2.7635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
3.6615 1.4741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
2.9205 2.1455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
1 2 1 0 0 0 0<br />
2 3 2 0 0 0 0<br />
3 4 1 0 0 0 0<br />
4 5 2 0 0 0 0<br />
5 6 1 0 0 0 0<br />
6 1 2 0 0 0 0<br />
4 7 1 0 0 0 0<br />
7 8 1 0 0 0 0<br />
8 9 2 0 0 0 0<br />
9 10 1 0 0 0 0<br />
10 5 1 0 0 0 0<br />
7 11 2 0 0 0 0<br />
9 12 1 0 0 0 0<br />
12 13 2 0 0 0 0<br />
13 14 1 0 0 0 0<br />
14 15 2 0 0 0 0<br />
15 16 1 0 0 0 0<br />
16 17 2 0 0 0 0<br />
17 12 1 0 0 0 0<br />
3 18 1 0 0 0 0<br />
1 19 1 0 0 0 0<br />
15 20 1 0 0 0 0<br />
8 21 1 0 0 0 0<br />
22 23 1 1 0 0 0<br />
23 24 1 1 0 0 0<br />
25 24 1 1 0 0 0<br />
25 26 1 0 0 0 0<br />
26 27 1 0 0 0 0<br />
27 22 1 0 0 0 0<br />
22 28 1 0 0 0 0<br />
23 29 1 0 0 0 0<br />
25 21 1 0 0 0 0<br />
24 30 1 0 0 0 0<br />
32 31 1 1 0 0 0<br />
32 33 1 0 0 0 0<br />
33 34 1 0 0 0 0<br />
34 35 1 0 0 0 0<br />
35 36 1 1 0 0 0<br />
36 31 1 1 0 0 0<br />
34 37 1 0 0 0 0<br />
33 38 1 0 0 0 0<br />
30 35 1 0 0 0 0<br />
32 39 1 0 0 0 0<br />
40 41 1 1 0 0 0<br />
41 42 1 1 0 0 0<br />
43 42 1 1 0 0 0<br />
43 44 1 0 0 0 0<br />
44 45 1 0 0 0 0<br />
45 40 1 0 0 0 0<br />
41 46 1 0 0 0 0<br />
42 47 1 0 0 0 0<br />
40 37 1 0 0 0 0<br />
43 48 1 0 0 0 0<br />
27 49 1 0 0 0 0<br />
49 50 1 0 0 0 0<br />
31 51 1 0 0 0 0<br />
51 52 1 0 0 0 0<br />
44 53 1 0 0 0 0<br />
53 54 1 0 0 0 0<br />
M STY 1 3 SUP<br />
M SLB 1 3 3<br />
M SAL 3 2 53 54<br />
M SBL 3 1 58<br />
M SMT 3 CH2OH<br />
M SVB 3 58 4.3076 0.25<br />
M STY 1 2 SUP<br />
M SLB 1 2 2<br />
M SAL 2 2 51 52<br />
M SBL 2 1 56<br />
M SMT 2 CH2OH<br />
M SVB 2 56 2.2407 -1.7547<br />
M STY 1 1 SUP<br />
M SLB 1 1 1<br />
M SAL 1 2 49 50<br />
M SBL 1 1 54<br />
M SMT 1 CH2OH<br />
M SVB 1 54 -1.0561 -1.6929<br />
S SKP 8<br />
ID FL5FAAGL0021<br />
KNApSAcK_ID C00005208<br />
NAME Kaempferol 3-sophorotrioside<br />
CAS_RN 80714-53-0<br />
FORMULA C33H40O21<br />
EXACTMASS 772.206208342<br />
AVERAGEMASS 772.6581<br />
SMILES c(c1)c(O)ccc(C(=C(O[C@H](O4)[C@@H](O[C@H](O5)C(O[C@@H](O6)[C@H](O)[C@H](O)[C@H](O)C6CO)C([C@@H](O)[C@@H](CO)5)O)[C@@H](O)[C@@H](O)C4CO)3)Oc(c(C3=O)2)cc(cc2O)O)1<br />
M END<br />
</pre></div>
Editor