Mol:FL3FCBCS0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
40 44 0 0 0 0 0 0 0 0999 V2000
-2.1198 -0.7243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1198 -1.5492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4053 -1.9617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6908 -1.5492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6908 -0.7243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4053 -0.3118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0236 -1.9617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7381 -1.5492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7381 -0.7243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0236 -0.3118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0236 -2.6051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5318 -0.2855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2847 -0.7201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0375 -0.2855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0375 0.5839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2847 1.0186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5318 0.5839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2610 2.5616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0387 1.9724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7088 1.1239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6999 0.3052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1049 0.9002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4966 1.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4703 2.4474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0408 2.7864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1522 0.5127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4053 -2.7864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5869 -1.5163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1101 -2.1456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4237 -1.8786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7614 -1.8714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2426 -1.3900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8433 -1.7070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5329 -0.8829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7075 -2.1831 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9053 -2.2721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7900 1.0184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7075 0.4886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5359 -0.1578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1779 0.9545 0.0000 C 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
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
12 9 1 0 0 0 0
18 19 1 1 0 0 0
19 20 1 1 0 0 0
21 20 1 1 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
23 18 1 0 0 0 0
18 24 1 0 0 0 0
19 25 1 0 0 0 0
20 26 1 0 0 0 0
6 21 1 0 0 0 0
3 27 1 0 0 0 0
28 29 1 1 0 0 0
29 30 1 1 0 0 0
31 30 1 1 0 0 0
31 32 1 0 0 0 0
32 33 1 0 0 0 0
33 28 1 0 0 0 0
28 34 1 0 0 0 0
29 35 1 0 0 0 0
30 36 1 0 0 0 0
31 2 1 0 0 0 0
37 38 1 0 0 0 0
15 37 1 0 0 0 0
39 40 1 0 0 0 0
1 39 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 37 38
M SBL 1 1 42
M SMT 1 OCH3
M SBV 1 42 -0.7525 -0.4345
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 39 40
M SBL 2 1 44
M SMT 2 ^ OCH3
M SBV 2 44 0.4161 -0.5665
S SKP 5
ID FL3FCBCS0003
FORMULA C27H30O13
EXACTMASS 562.168641046
AVERAGEMASS 562.5193
SMILES C(O1)C(C(C(O)C1c(c5O)c(OC)c(c(c54)OC(=CC(=O)4)c(c3)ccc(c3)OC)C(O2)C(O)C(C(O)C2)O)O)O
M END
