Editor at 00:00, 14 March 2009

2009-03-14T00:00:00Z

Editor at 00:00, 7 October 2008

2008-10-07T00:00:00Z

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<pre>

Copyright: ARM project http://www.metabolome.jp/
45 49 0 0 0 0 0 0 0 0999 V2000
-2.9769 0.8949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9769 0.2526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4206 -0.0686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8643 0.2526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8643 0.8949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4206 1.2161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3080 -0.0686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7517 0.2526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7517 0.8949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3080 1.2161 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3080 -0.5695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1956 1.2160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3714 0.8886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9384 1.2160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9384 1.8707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3714 2.1980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1956 1.8707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5330 1.2160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3575 -0.1363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4206 -0.7108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0331 -1.2541 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.5497 -0.9176 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.3648 -1.5647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5497 -2.2157 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
0.0331 -2.5522 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.1518 -1.9051 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.1344 -0.6292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3097 -2.1715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8607 -2.3305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0674 0.0481 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
1.5098 -0.5359 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.1469 -0.2882 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.7616 -0.2815 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.3149 0.1653 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
1.7575 -0.1289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8201 -0.5695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5119 -0.9009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7528 -0.4136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3714 2.8525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5723 2.2367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2868 1.8242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9452 -2.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6597 -2.6249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7361 0.2734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0051 1.2365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 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 1 2 0 0 0 0
4 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 2 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
7 11 2 0 0 0 0
9 12 1 0 0 0 0
12 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 17 2 0 0 0 0
17 12 1 0 0 0 0
1 18 1 0 0 0 0
8 19 1 0 0 0 0
3 20 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 1 0 0 0
23 24 1 1 0 0 0
25 24 1 1 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
21 27 1 0 0 0 0
26 28 1 0 0 0 0
25 29 1 0 0 0 0
22 19 1 0 0 0 0
30 31 1 1 0 0 0
31 32 1 1 0 0 0
33 32 1 1 0 0 0
33 34 1 0 0 0 0
34 35 1 0 0 0 0
35 30 1 0 0 0 0
31 36 1 0 0 0 0
32 37 1 0 0 0 0
27 30 1 0 0 0 0
33 38 1 0 0 0 0
16 39 1 0 0 0 0
15 40 1 0 0 0 0
40 41 1 0 0 0 0
24 42 1 0 0 0 0
42 43 1 0 0 0 0
34 44 1 0 0 0 0
44 45 1 0 0 0 0
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 44 45
M SBL 3 1 48
M SMT 3 CH2OH
M SVB 3 48 2.7361 0.2734
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 42 43
M SBL 2 1 46
M SMT 2 CH2OH
M SVB 2 46 -0.8756 -2.44
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 40 41
M SBL 1 1 44
M SMT 1 OCH3
M SVB 1 44 1.5723 2.2367
S SKP 8
ID FL5FAEGA0002
KNApSAcK_ID C00005594
NAME Tamarixetin 3-glucosyl-(1->2)-galactoside;Quercetin 4'-methyl ether 3-glucosyl-(1->2)-galactoside;Thesioideoside;3-[(2-O-beta-D-Glucopyranosyl-beta-D-galactopyranosyl)oxy]-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one
CAS_RN 145937-28-6
FORMULA C28H32O17
EXACTMASS 640.163949598
AVERAGEMASS 640.54348
SMILES C(O2)(c(c5)ccc(OC)c(O)5)=C(O[C@@H](C3O[C@@H](O4)[C@H](O)[C@@H]([C@@H](C4CO)O)O)O[C@H](CO)[C@H](O)C3O)C(c(c21)c(cc(O)c1)O)=O
M END
</pre>

Mol:FL5FAEGA0002 - Revision history

Editor at 00:00, 14 March 2009

Editor at 00:00, 7 October 2008