Mol:FL3FACDS0004
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
42 46 0 0 0 0 0 0 0 0999 V2000
-1.5659 -0.8577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5659 -1.6827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8514 -2.0951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1370 -1.6827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1370 -0.8577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8514 -0.4452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5775 -2.0951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2919 -1.6827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2919 -0.8577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5775 -0.4452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5775 -2.7384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2801 -0.4453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0856 -0.4188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8385 -0.8536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5914 -0.4188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5914 0.4505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8385 0.8851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0856 0.4505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3438 0.8849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3269 2.1214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6055 1.8337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5856 0.9236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8573 0.1512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0947 0.5067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2089 1.3382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2539 2.9199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3113 2.5457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3318 0.3732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3438 -0.8533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8514 -2.9199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7754 -0.1877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1008 -0.5771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3149 0.1718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1008 0.9253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7754 1.3148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5614 0.5658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4262 1.8055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1008 1.4113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1667 1.0364 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3438 -0.2180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5863 1.7171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2674 0.9054 0.0000 O 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
1 12 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 17 1 0 0 0 0
17 18 2 0 0 0 0
18 13 1 0 0 0 0
13 9 1 0 0 0 0
16 19 1 0 0 0 0
20 21 1 1 0 0 0
21 22 1 1 0 0 0
23 22 1 1 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 20 1 0 0 0 0
20 26 1 0 0 0 0
21 27 1 0 0 0 0
22 28 1 0 0 0 0
6 23 1 0 0 0 0
15 29 1 0 0 0 0
3 30 1 0 0 0 0
32 31 1 1 0 0 0
32 33 1 0 0 0 0
33 34 1 0 0 0 0
34 35 1 0 0 0 0
35 36 1 1 0 0 0
36 31 1 1 0 0 0
35 37 1 0 0 0 0
34 38 1 0 0 0 0
36 39 1 0 0 0 0
31 40 1 0 0 0 0
32 12 1 0 0 0 0
41 42 1 0 0 0 0
25 41 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 41 42
M SBL 1 1 46
M SMT 1 CH2OH
M SBV 1 46 -0.7952 -0.3788
S SKP 5
ID FL3FACDS0004
FORMULA C27H30O15
EXACTMASS 594.15847029
AVERAGEMASS 594.5181
SMILES c(O3)(c(C(C5O)OC(C(C5O)O)CO)1)c(C(C=C3c(c4)ccc(O)c4O)=O)c(cc(OC(O2)C(C(C(C2C)O)O)O)1)O
M END
