Mol:FL3FADCS0008
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
42 46 0 0 0 0 0 0 0 0999 V2000
-1.7504 -0.9441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7504 -1.7691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0359 -2.1816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3215 -1.7691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3215 -0.9441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0359 -0.5318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3930 -2.1816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1074 -1.7691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1074 -0.9441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3930 -0.5318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3930 -2.8248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4645 -0.5319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8092 2.3829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5869 1.7937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2569 0.9451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2481 0.1266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6530 0.7214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0448 1.4637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9762 3.0062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5869 2.6732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6307 0.2976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0359 -3.0062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9804 -0.3994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7332 -0.8341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4861 -0.3994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4861 0.4700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7332 0.9045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9804 0.4700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2385 0.9043 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1729 -1.8102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6962 -2.4394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0097 -2.1725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3475 -2.1653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8287 -1.6838 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4292 -2.0008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8327 -2.1911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4392 -2.4756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4581 -2.4910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5562 1.9524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3614 1.4226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9153 -0.5939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8327 -1.1237 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
1 12 1 0 0 0 0
13 14 1 1 0 0 0
14 15 1 1 0 0 0
16 15 1 1 0 0 0
16 17 1 0 0 0 0
17 18 1 0 0 0 0
18 13 1 0 0 0 0
13 19 1 0 0 0 0
14 20 1 0 0 0 0
15 21 1 0 0 0 0
6 16 1 0 0 0 0
3 22 1 0 0 0 0
23 24 2 0 0 0 0
24 25 1 0 0 0 0
25 26 2 0 0 0 0
26 27 1 0 0 0 0
27 28 2 0 0 0 0
28 23 1 0 0 0 0
9 23 1 0 0 0 0
26 29 1 0 0 0 0
30 31 1 1 0 0 0
31 32 1 1 0 0 0
33 32 1 1 0 0 0
33 34 1 0 0 0 0
34 35 1 0 0 0 0
35 30 1 0 0 0 0
30 36 1 0 0 0 0
31 37 1 0 0 0 0
32 38 1 0 0 0 0
33 2 1 0 0 0 0
39 40 1 0 0 0 0
18 39 1 0 0 0 0
41 42 1 0 0 0 0
25 41 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 39 40
M SBL 1 1 44
M SMT 1 CH2OH
M SBV 1 44 -0.4887 -0.4887
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 41 42
M SBL 2 1 46
M SMT 2 OCH3
M SBV 2 46 -0.4292 0.1946
S SKP 5
ID FL3FADCS0008
FORMULA C27H30O15
EXACTMASS 594.15847029
AVERAGEMASS 594.5181
SMILES C(C5O)OC(C(C5O)O)c(c1O)c(c(C(=O)4)c(OC(=C4)c(c3)cc(OC)c(O)c3)c1C(O2)C(C(C(O)C2CO)O)O)O
M END
