Mol:FL3FCCCS0004
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
43 47 0 0 0 0 0 0 0 0999 V2000
-1.3405 0.3965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3405 -0.4287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6259 -0.8413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0888 -0.4287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0888 0.3965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6259 0.8091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8034 -0.8413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5181 -0.4287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5181 0.3965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8034 0.8091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8034 -1.4848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6259 -1.6663 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3120 0.8354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0650 0.4007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8181 0.8354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8181 1.7050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0650 2.1399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3120 1.7050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5708 2.1396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7501 -0.3397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3054 -0.9268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6648 -0.6777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9972 -0.6852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4959 -0.2219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1502 -0.4569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4443 -0.4766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9579 -0.8199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9664 -1.1715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1845 -1.8389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5189 -2.4181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8758 -2.2343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2289 -2.4181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8944 -1.8389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5375 -2.0226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9265 -1.8550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0421 -2.2751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2991 -2.8477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2284 -3.0089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0650 3.0089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0249 0.8188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6671 1.9314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6101 0.0290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5708 0.4768 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
3 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
29 30 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 29 1 0 0 0 0
29 35 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 28 1 0 0 0 0
23 2 1 0 0 0 0
17 39 1 0 0 0 0
40 41 1 0 0 0 0
1 40 1 0 0 0 0
42 43 1 0 0 0 0
25 42 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 40 41
M SBL 1 1 45
M SMT 1 ^ OCH3
M SBV 1 45 0.6844 -0.4223
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 42 43
M SBL 2 1 47
M SMT 2 ^ CH2OH
M SBV 2 47 0.4599 -0.4859
S SKP 5
ID FL3FCCCS0004
FORMULA C28H32O15
EXACTMASS 608.174120354
AVERAGEMASS 608.54468
SMILES C(C1OC(O5)C(O)C(O)C(C(C)5)O)(c(c4O)c(OC)cc(c43)OC(=CC3=O)c(c2)cc(c(c2)O)O)OC(C(O)C1O)CO
M END
