Mol:FL5FCDGS0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
44 48 0 0 0 0 0 0 0 0999 V2000
2.1427 1.2422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4283 1.6547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4283 2.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1427 2.8922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8572 2.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8572 1.6547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7139 1.2422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0006 1.6547 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7151 1.2422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7151 0.4173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0006 0.0048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7139 0.4173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4295 1.6547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1439 1.2422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1439 0.4173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4295 0.0048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0006 -0.7094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4703 0.0125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4295 -0.6682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5717 2.8922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6179 -1.8400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9796 -1.8397 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2011 -1.1181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8722 -0.8580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1347 -1.6681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6910 -1.3397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8947 -1.0283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4264 -2.2936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1318 -2.7143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4691 -3.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7930 -3.9593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1579 -3.4323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3429 -3.3026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0189 -2.8291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6541 -3.3561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9488 -3.9657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4287 -4.1297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4799 -3.8238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8584 1.6547 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5717 1.2428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3199 -2.9717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8719 -2.9233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1427 3.7172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8572 4.1297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 0 0 0 0
2 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
12 7 2 0 0 0 0
9 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 10 1 0 0 0 0
11 17 2 0 0 0 0
12 18 1 0 0 0 0
16 19 1 0 0 0 0
5 20 1 0 0 0 0
26 21 1 1 0 0 0
25 21 1 1 0 0 0
24 26 1 1 0 0 0
26 22 1 0 0 0 0
27 24 1 0 0 0 0
25 27 1 0 0 0 0
21 23 1 0 0 0 0
25 28 1 0 0 0 0
28 29 1 0 0 0 0
18 24 1 0 0 0 0
30 31 1 1 0 0 0
31 32 1 1 0 0 0
33 32 1 1 0 0 0
33 34 1 0 0 0 0
34 35 1 0 0 0 0
35 30 1 0 0 0 0
30 36 1 0 0 0 0
31 37 1 0 0 0 0
32 38 1 0 0 0 0
33 29 1 0 0 0 0
39 40 1 0 0 0 0
14 39 1 0 0 0 0
41 42 1 0 0 0 0
35 41 1 0 0 0 0
43 44 1 0 0 0 0
4 43 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 39 40
M SBL 1 1 44
M SMT 1 ^ OCH3
M SBV 1 44 0.7145 -0.4125
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 41 42
M SBL 2 1 46
M SMT 2 ^ CH2OH
M SBV 2 46 0.6658 -0.3844
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 43 44
M SBL 3 1 48
M SMT 3 OCH3
M SBV 3 48 0.0000 -0.8250
S SKP 5
ID FL5FCDGS0002
FORMULA C28H32O16
EXACTMASS 624.1690349759999
AVERAGEMASS 624.54408
SMILES C(=C(OC(C(O)4)OC(COC(C(O)5)OC(CO)C(O)C5O)C(O)4)1)(c(c3)ccc(O)c3OC)Oc(c2)c(c(cc(OC)2)O)C1=O
M END
