Mol:FL3FACGS0048
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
53 58 0 0 0 0 0 0 0 0999 V2000
-1.5064 -1.4482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5064 -2.1997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8557 -2.5753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2051 -2.1997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2051 -1.4482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8557 -1.0726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4457 -2.5753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0964 -2.1997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0964 -1.4482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4457 -1.0726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4471 -3.3287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7469 -1.0727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4100 -1.4556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0732 -1.0727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0732 -0.3070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4100 0.0758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7469 -0.3070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2134 -1.0595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8557 -3.3252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7969 0.0811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.8444 -1.0939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3486 -1.7485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6345 -1.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9454 -1.4633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4462 -0.9625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1755 -1.2244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4674 -1.2774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.1408 -1.7256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8940 -1.9321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4173 0.8181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2755 2.7551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8084 2.2880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1356 1.7141 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1356 1.0536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6027 1.5207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2755 2.0947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9413 3.3287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7224 3.0183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6698 2.7337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2345 1.6843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4585 -0.8341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0626 -1.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8709 -0.5122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0626 0.1627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4585 0.5116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6501 -0.1593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4336 -0.1607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5532 -1.4559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9183 -1.8727 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4674 -0.8565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6788 -0.7862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8854 -0.7862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4972 0.1582 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
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
18 1 1 0 0 0 0
3 19 1 0 0 0 0
15 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 18 1 0 0 0 0
16 30 1 0 0 0 0
31 32 1 1 0 0 0
32 33 1 1 0 0 0
34 33 1 1 0 0 0
34 35 1 0 0 0 0
35 36 1 0 0 0 0
36 31 1 0 0 0 0
31 37 1 0 0 0 0
32 38 1 0 0 0 0
36 39 1 0 0 0 0
35 40 1 0 0 0 0
34 30 1 0 0 0 0
42 41 1 1 0 0 0
42 43 1 0 0 0 0
43 44 1 0 0 0 0
44 45 1 0 0 0 0
45 46 1 1 0 0 0
46 41 1 1 0 0 0
46 47 1 0 0 0 0
41 48 1 0 0 0 0
42 49 1 0 0 0 0
43 50 1 0 0 0 0
45 20 1 0 0 0 0
51 52 2 0 0 0 0
51 53 1 0 0 0 0
26 51 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 3 51 52 53
M SBL 1 1 58
M SMT 1 ^ COOH
M SBV 1 58 0.5033 -0.4382
S SKP 5
ID FL3FACGS0048
FORMULA C33H38O20
EXACTMASS 754.1956436559999
AVERAGEMASS 754.64282
SMILES CC(C6O)OC(C(C(O)6)O)Oc(c2)c(ccc(C(=C5)Oc(c3C5=O)cc(OC(O4)C(O)C(C(O)C4C(O)=O)O)cc3O)2)OC(C(O)1)OC(C)C(O)C(O)1
M END
