Mol:FL3FAAGS0025
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
44 48 0 0 0 0 0 0 0 0999 V2000
-0.2428 0.5303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2428 -0.2791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4582 -0.6839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1592 -0.2791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1592 0.5303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4582 0.9350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8602 -0.6839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5612 -0.2791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5612 0.5303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8602 0.9350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8602 -1.5344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2620 0.9349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9765 0.5224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6908 0.9349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6908 1.7599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9765 2.1723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2620 1.7599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9436 0.9349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4582 -1.4930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4052 2.1722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9625 0.8872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3777 0.1153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5356 0.4429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7231 0.4516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3135 1.0421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1738 0.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6067 0.7146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1581 0.2368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7363 -0.0714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7101 -2.1384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2909 -1.4816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3985 -1.8577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8329 -1.1531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1337 -0.7392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9403 -0.5230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5309 -1.2205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9905 -2.1723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8851 -1.1815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4837 -1.0744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4052 -1.2369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.3625 -1.7913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6987 1.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6344 1.2583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2292 2.0716 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
1 18 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
39 40 2 0 0 0 0
39 41 1 0 0 0 0
36 39 1 0 0 0 0
42 43 2 0 0 0 0
42 44 1 0 0 0 0
26 42 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 3 39 40 41
M SBL 1 1 45
M SMT 1 ^ COOH
M SBV 1 45 0.9528 -0.1461
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 3 42 43 44
M SBL 2 1 48
M SMT 2 ^ COOH
M SBV 2 48 0.5250 -0.5250
S SKP 5
ID FL3FAAGS0025
FORMULA C27H26O17
EXACTMASS 622.116999406
AVERAGEMASS 622.48514
SMILES c(c5O)c(cc(c45)OC(=CC4=O)c(c3)ccc(c3)O)OC(O1)C(OC(O2)C(O)C(C(C2C(O)=O)O)O)C(O)C(C1C(O)=O)O
M END
