Mol:FL5FAINS0001
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
25 27 0 0 0 0 0 0 0 0999 V2000
-2.1416 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1416 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5853 -1.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0290 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0290 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5853 0.1844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4727 -1.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0836 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0836 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4727 0.1844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4727 -1.6012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6397 0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2067 -0.1431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7737 0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7737 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2067 1.1663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6397 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6397 -1.1002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6977 0.1843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5853 -1.7424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7737 0.8390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6397 -0.3157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5058 -0.8156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4901 1.7424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9315 2.6397 0.0000 C 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
8 18 1 0 0 0 0
1 19 1 0 0 0 0
3 20 1 0 0 0 0
15 21 1 0 0 0 0
14 22 1 0 0 0 0
22 23 1 0 0 0 0
16 24 1 0 0 0 0
24 25 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 24 25
M SBL 2 1 26
M SMT 2 OCH3
M SVB 2 26 1.4901 1.7424
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 22 23
M SBL 1 1 24
M SMT 1 OCH3
M SVB 1 24 1.9832 -0.022
S SKP 8
ID FL5FAINS0001
KNApSAcK_ID C00004767
NAME Syringetin
CAS_RN 4423-37-4
FORMULA C17H14O8
EXACTMASS 346.068867424
AVERAGEMASS 346.28826
SMILES COc(c1)c(O)c(OC)cc1C(O2)=C(O)C(=O)c(c(O)3)c(cc(O)c3)2
M END
</pre>
