http://metabolomics.jp/mediawiki/index.php?action=history&feed=atom&title=Mol%3AFL7AAIGLS001
Mol:FL7AAIGLS001 - Revision history
2026-06-08T21:27:46Z
Revision history for this page on the wiki
MediaWiki 1.19.1
http://metabolomics.jp/mediawiki/index.php?title=Mol:FL7AAIGLS001&diff=192927&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:FL7AAIGLS001&diff=192927&oldid=192926">Show changes</a>
Editor
http://metabolomics.jp/mediawiki/index.php?title=Mol:FL7AAIGLS001&diff=192926&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 />
50 54 0 0 0 0 0 0 0 0999 V2000<br />
-1.3414 -0.1059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
-0.7310 0.2466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
-0.7310 0.9515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
-1.3414 1.3039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
-1.9519 0.9515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
-1.9519 0.2466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
-0.1205 -0.1059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
0.4899 0.2466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
0.4899 0.9515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
-0.1205 1.3039 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0<br />
1.0714 1.2872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
1.6550 0.9503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
2.2386 1.2872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
2.2386 1.9610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
1.6550 2.2980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
1.0714 1.9610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
2.7898 2.2793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
-2.4512 1.2398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
-1.3414 -0.6009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
1.0611 -0.0832 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
1.6550 2.8817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
2.1965 3.1943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
2.7604 0.9859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
3.3210 0.9859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
-3.7228 -1.2652 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0<br />
-3.0822 -1.7852 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0<br />
-2.4116 -1.3047 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0<br />
-1.5896 -1.2331 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0<br />
-2.2302 -0.7131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
-2.9010 -1.1935 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0<br />
-3.1612 -0.7427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
-3.6770 -0.6045 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
-4.1445 -1.6869 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
-3.3586 -2.2639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
-2.0718 -1.8931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
-2.0718 -2.5336 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0<br />
-2.6719 -2.5336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
-1.4320 -2.5336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
-2.0718 -3.1943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
2.1517 -0.2032 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0<br />
1.5662 -0.7844 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0<br />
2.3911 -0.7738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
3.1063 -1.1850 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0<br />
3.6919 -0.6038 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0<br />
2.8669 -0.6144 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0<br />
1.6635 -0.3340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
3.2990 -0.1823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
3.8034 -1.9020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
3.5310 -2.8642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
4.6919 -0.6038 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 />
2 7 1 0 0 0 0<br />
7 8 2 0 0 0 0<br />
8 9 1 0 0 0 0<br />
9 10 2 0 0 0 0<br />
10 3 1 0 0 0 0<br />
9 11 1 0 0 0 0<br />
11 12 2 0 0 0 0<br />
12 13 1 0 0 0 0<br />
13 14 2 0 0 0 0<br />
14 15 1 0 0 0 0<br />
15 16 2 0 0 0 0<br />
16 11 1 0 0 0 0<br />
14 17 1 0 0 0 0<br />
5 18 1 0 0 0 0<br />
1 19 1 0 0 0 0<br />
8 20 1 0 0 0 0<br />
15 21 1 0 0 0 0<br />
21 22 1 0 0 0 0<br />
13 23 1 0 0 0 0<br />
23 24 1 0 0 0 0<br />
25 26 1 1 0 0 0<br />
26 27 1 1 0 0 0<br />
28 27 1 1 0 0 0<br />
28 29 1 0 0 0 0<br />
29 30 1 0 0 0 0<br />
30 25 1 0 0 0 0<br />
19 28 1 0 0 0 0<br />
30 31 1 0 0 0 0<br />
31 32 1 0 0 0 0<br />
25 33 1 0 0 0 0<br />
26 34 1 0 0 0 0<br />
27 35 1 0 0 0 0<br />
35 36 1 0 0 0 0<br />
36 37 2 0 0 0 0<br />
36 38 2 0 0 0 0<br />
36 39 1 0 0 0 0<br />
40 41 1 0 0 0 0<br />
41 42 1 1 0 0 0<br />
43 42 1 1 0 0 0<br />
44 43 1 1 0 0 0<br />
44 45 1 0 0 0 0<br />
45 40 1 0 0 0 0<br />
20 41 1 0 0 0 0<br />
40 46 1 0 0 0 0<br />
45 47 1 0 0 0 0<br />
43 48 1 0 0 0 0<br />
48 49 1 0 0 0 0<br />
44 50 1 0 0 0 0<br />
M STY 1 4 SUP<br />
M SLB 1 4 4<br />
M SAL 4 2 48 49<br />
M SBL 4 1 52<br />
M SMT 4 CH2OH<br />
M SVB 4 52 3.7694 -1.0074<br />
M STY 1 3 SUP<br />
M SLB 1 3 3<br />
M SAL 3 2 31 32<br />
M SBL 3 1 34<br />
M SMT 3 CH2OH<br />
M SVB 3 34 -3.1612 -0.7427<br />
M STY 1 2 SUP<br />
M SLB 1 2 2<br />
M SAL 2 2 23 24<br />
M SBL 2 1 25<br />
M SMT 2 OCH3<br />
M SVB 2 25 2.7604 0.9859<br />
M STY 1 1 SUP<br />
M SLB 1 1 1<br />
M SAL 1 2 21 22<br />
M SBL 1 1 23<br />
M SMT 1 OCH3<br />
M SVB 1 23 1.655 2.8817<br />
S SKP 8<br />
ID FL7AAIGLS001<br />
KNApSAcK_ID C00011343<br />
NAME Malvidin 3-glucoside-5-(2''-sulfatoglucoside)<br />
CAS_RN 160206-01-9<br />
FORMULA C29H35O20S<br />
EXACTMASS 735.14423925<br />
AVERAGEMASS 735.6422<br />
SMILES c(c4)(cc(O[C@H](O5)[C@H]([C@H]([C@H](C5CO)O)O)OS(O)(=O)=O)c(c42)cc(O[C@@H](C3O)O[C@@H]([C@@H](C3O)O)CO)c([o+1]2)c(c1)cc(OC)c(c(OC)1)O)O<br />
M END<br />
</pre></div>
Editor