Mol:FL2FACNP0001
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
26 29 0 0 0 0 0 0 0 0999 V2000
-2.5295 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5295 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9732 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4169 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4169 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9732 0.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8606 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3043 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3043 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8606 0.1452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2518 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8188 -0.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3857 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3857 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8188 1.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2518 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8606 -1.6833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9732 -1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0856 0.1451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8188 1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9525 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9525 -0.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5182 0.1444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5182 0.7975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0856 1.1237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6936 1.4521 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 1 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
9 11 1 0 0 0 0
11 12 2 0 0 0 0
12 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 11 1 0 0 0 0
7 17 2 0 0 0 0
3 18 1 0 0 0 0
1 19 1 0 0 0 0
15 20 1 0 0 0 0
14 21 1 0 0 0 0
13 22 1 0 0 0 0
22 23 2 0 0 0 0
23 24 1 0 0 0 0
24 21 1 0 0 0 0
24 25 1 0 0 0 0
24 26 1 0 0 0 0
S SKP 8
ID FL2FACNP0001
KNApSAcK_ID C00008320
NAME Sigmoidin C
CAS_RN 101923-93-7
FORMULA C20H18O6
EXACTMASS 354.110338308
AVERAGEMASS 354.35332
SMILES c(c(O)4)c(O)c(c(c4)1)C(=O)CC(c(c2)cc(C=3)c(OC(C3)(C)C)c(O)2)O1
M END
</pre>
