Mol:FL3FACDS0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
43 47 0 0 0 0 0 0 0 0999 V2000
-4.4455 -0.9436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4455 -1.7687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7310 -2.1810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0166 -1.7687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0166 -0.9436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7310 -0.5311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3021 -2.1810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5877 -1.7687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5877 -0.9436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3021 -0.5311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3021 -2.8244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.1597 -0.5312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7940 -0.5048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0411 -0.9395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7118 -0.5048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7118 0.3646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0411 0.7992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7940 0.3646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4642 0.7989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6073 2.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3851 1.8149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0552 0.9665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0463 0.1478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4513 0.7427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8430 1.4850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7685 3.0058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3851 2.5740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5833 0.4384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4642 -0.9392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7310 -3.0058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6847 1.2316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2984 0.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0414 0.7748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7888 0.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1753 1.2316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4322 1.0193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0824 1.0702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8707 1.4578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7593 1.0751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2421 0.5968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1597 0.0670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2882 2.0398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3706 1.5100 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
31 32 1 0 0 0 0
32 33 1 1 0 0 0
33 34 1 1 0 0 0
35 34 1 1 0 0 0
35 36 1 0 0 0 0
36 31 1 0 0 0 0
31 37 1 0 0 0 0
36 38 1 0 0 0 0
35 39 1 0 0 0 0
32 19 1 0 0 0 0
40 41 1 0 0 0 0
34 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 CH2OH
M SBV 1 45 -0.4532 -0.0343
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 -0.5548 -0.5548
S SKP 5
ID FL3FACDS0002
FORMULA C27H30O16
EXACTMASS 610.153384912
AVERAGEMASS 610.5175
SMILES c(OC(O5)C(C(C(O)C(CO)5)O)O)(c1)c(cc(C(O2)=CC(=O)c(c(O)3)c(c(C(C(O)4)OC(C(O)C(O)4)CO)c(c3)O)2)c1)O
M END
