Mol:FL3FAEGS0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
34 37 0 0 0 0 0 0 0 0999 V2000
-1.2349 -0.2226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2349 -1.0320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5339 -1.4368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1672 -1.0320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1672 -0.2226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5339 0.1823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8684 -1.4368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5693 -1.0320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5693 -0.2226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8684 0.1823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8684 -2.2168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2701 0.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9846 -0.2305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6993 0.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6993 1.0072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9846 1.4197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2701 1.0072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9846 2.2447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9346 0.1814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5339 -2.2447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9075 0.0968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3465 -0.6436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5387 -0.3294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7593 -0.3211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3257 0.2455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0324 -0.1275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5427 -0.1547 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.0959 -0.5432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8476 -0.8191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6214 0.4428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5189 0.4428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1726 1.2202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4323 1.4942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5427 0.8531 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
16 18 1 0 0 0 0
1 19 1 0 0 0 0
3 20 1 0 0 0 0
21 22 1 1 0 0 0
22 23 1 1 0 0 0
24 23 1 1 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
21 27 1 0 0 0 0
22 28 1 0 0 0 0
23 29 1 0 0 0 0
24 19 1 0 0 0 0
30 31 2 0 0 0 0
30 32 1 0 0 0 0
26 30 1 0 0 0 0
33 34 1 0 0 0 0
15 33 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 3 30 31 32
M SBL 1 1 35
M SMT 1 ^COOH
M SBV 1 35 0.5889 -0.5703
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 -0.7331 -0.4871
S SKP 5
ID FL3FAEGS0002
FORMULA C22H20O12
EXACTMASS 476.095476104
AVERAGEMASS 476.387
SMILES c(c3)(c(c(cc3OC(O4)C(O)C(C(O)C4C(O)=O)O)O)1)OC(c(c2)ccc(c2O)OC)=CC1=O
M END
