Mol:FL3FACNSS001
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
25 27 0 0 0 0 0 0 0 0999 V2000
-0.7865 -0.1432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7865 -0.6640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3354 -0.9244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1156 -0.6640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1156 -0.1432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3354 0.1173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5667 -0.9244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0178 -0.6640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0178 -0.1432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5667 0.1173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5667 -1.3305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4687 0.1172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9284 -0.1483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3881 0.1172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3881 0.6480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9284 0.9134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4687 0.6480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3060 0.1568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3354 -1.4442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9824 0.9911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2006 0.1568 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
-2.2006 0.8778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2006 -0.4837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9824 0.1568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9284 1.4442 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
18 1 1 0 0 0 0
3 19 1 0 0 0 0
15 20 1 0 0 0 0
18 21 1 0 0 0 0
21 22 2 0 0 0 0
21 23 2 0 0 0 0
21 24 1 0 0 0 0
16 25 1 0 0 0 0
S SKP 8
ID FL3FACNSS001
KNApSAcK_ID C00004328
NAME Luteolin 7-sulfate
CAS_RN 56857-57-9
FORMULA C15H10O9S
EXACTMASS 366.00455260800004
AVERAGEMASS 366.30050000000006
SMILES Oc(c3)c(O)cc(c3)C(=C2)Oc(c1)c(C(=O)2)c(O)cc1OS(O)(=O)=O
M END
</pre>
