Mol:FL5FECGS0026
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
36 39 0 0 0 0 0 0 0 0999 V2000
-1.3978 -0.7004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3978 -1.5254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6833 -1.9379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0311 -1.5254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0311 -0.7004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6833 -0.2880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7455 -1.9379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4599 -1.5254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4599 -0.7004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7455 -0.2880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7455 -2.7771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1741 -0.2881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9023 -0.7085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6303 -0.2881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6303 0.5526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9023 0.9731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1741 0.5526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1119 -0.2881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6833 -2.7625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2811 0.9284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6835 0.0876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8767 -0.3782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1327 0.5176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8767 1.4189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6835 1.8848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4275 0.9889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2415 2.5550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8795 2.0316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1312 1.6151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2811 0.0893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9023 1.6623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4691 2.8147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2261 -1.9677 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3383 -2.6099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9677 -1.8545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4155 -2.8147 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
1 18 1 0 0 0 0
3 19 1 0 0 0 0
20 15 1 0 0 0 0
22 21 1 1 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 1 1 0 0 0
26 21 1 1 0 0 0
25 27 1 0 0 0 0
24 28 1 0 0 0 0
26 29 1 0 0 0 0
21 30 1 0 0 0 0
22 18 1 0 0 0 0
31 32 1 0 0 0 0
16 31 1 0 0 0 0
33 34 1 0 0 0 0
8 33 1 0 0 0 0
35 36 1 0 0 0 0
2 35 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 31 32
M SBL 1 1 35
M SMT 1 OCH3
M SBV 1 35 0.0000 -0.6892
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 33 34
M SBL 2 1 37
M SMT 2 OCH3
M SBV 2 37 -0.7662 0.4424
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 35 36
M SBL 3 1 39
M SMT 3 ^ OCH3
M SBV 3 39 0.5700 0.3291
S SKP 5
ID FL5FECGS0026
FORMULA C24H26O12
EXACTMASS 506.142426296
AVERAGEMASS 506.45604
SMILES O(C1Oc(c4OC)cc(c(c4O)3)OC(=C(OC)C3=O)c(c2)cc(c(c2)O)OC)C(C(O)C(O)C(O)1)C
M END
