Mol:FL3FACGS0050
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
57 62 0 0 0 0 0 0 0 0999 V2000
-0.7025 -1.6494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7025 -2.4495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0096 -2.8495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6833 -2.4495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6833 -1.6494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0096 -1.2494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3760 -2.8495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0689 -2.4495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0689 -1.6494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3760 -1.2494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3760 -3.6572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7615 -1.2496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4676 -1.6573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1737 -1.2496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1737 -0.4343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4676 -0.0265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7615 -0.4343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5004 -1.1888 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0096 -3.6477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9596 0.0097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2539 -1.1849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7258 -1.8818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9655 -1.5861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2319 -1.5782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7650 -1.0450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5417 -1.3238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9460 -1.5064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4444 -1.8201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2191 -2.0919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.1834 -3.5439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7347 -3.0906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0001 -3.5650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3867 -3.0271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7001 -2.7688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3834 -2.4500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0179 -2.9776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6209 -3.7646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4165 -3.1748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8798 -1.6573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3342 1.2847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1383 0.8204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8832 1.7132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1383 2.6114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3342 3.0758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5893 2.1829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5297 3.7646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1065 3.3727 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4759 1.1436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6820 -2.7440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4759 -3.0329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.3402 -1.9596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1838 -0.7229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0286 -0.7229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7599 0.0113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0376 2.6268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0175 2.9001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4319 1.7619 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
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
32 37 1 0 0 0 0
33 38 1 0 0 0 0
30 31 1 0 0 0 0
34 29 1 0 0 0 0
24 18 1 0 0 0 0
14 39 1 0 0 0 0
41 40 1 1 0 0 0
41 42 1 0 0 0 0
42 43 1 0 0 0 0
43 44 1 0 0 0 0
44 45 1 1 0 0 0
45 40 1 1 0 0 0
44 46 1 0 0 0 0
43 47 1 0 0 0 0
42 48 1 0 0 0 0
41 20 1 0 0 0 0
49 50 2 0 0 0 0
49 51 1 0 0 0 0
36 49 1 0 0 0 0
52 53 2 0 0 0 0
52 54 1 0 0 0 0
26 52 1 0 0 0 0
55 56 2 0 0 0 0
55 57 1 0 0 0 0
45 55 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 3 49 50 51
M SBL 1 1 56
M SMT 1 ^ COOH
M SBV 1 56 0.6641 -0.2337
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 3 52 53 54
M SBL 2 1 59
M SMT 2 ^ COOH
M SBV 2 59 0.6421 -0.6009
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 3 55 56 57
M SBL 3 1 62
M SMT 3 ^ COOH
M SBV 3 62 0.5517 -0.4439
S SKP 5
ID FL3FACGS0050
FORMULA C33H34O24
EXACTMASS 814.1440020160001
AVERAGEMASS 814.60866
SMILES c(OC(C5OC(C(O)6)OC(C(O)C6O)C(O)=O)OC(C(C5O)O)C(O)=O)(c4)cc(O)c(c41)C(C=C(c(c2)ccc(OC(C(O)3)OC(C(O)=O)C(O)C(O)3)c2O)O1)=O
M END
