Mol:FL3FACDS0006
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
43 47 0 0 0 0 0 0 0 0999 V2000
-0.5959 0.1120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5959 -0.7063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1127 -1.1153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8213 -0.7063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8213 0.1120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1127 0.5212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5299 -1.1153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2385 -0.7063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2385 0.1120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5299 0.5212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5299 -1.9456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1127 -1.9333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1045 0.6524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8512 0.2212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5979 0.6524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5979 1.5146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8512 1.9456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1045 1.5146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3442 1.9454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3494 0.5425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5134 -1.1523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6885 -1.6928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1561 -1.1422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2662 -1.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0248 -0.6174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6215 -1.1309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1888 -1.6351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5534 -1.9250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2674 -1.4533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.3442 0.2214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3851 0.7539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7283 0.0183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0714 0.4123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1783 0.3072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8088 0.8852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5182 0.5437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2197 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6482 0.1387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3860 -0.0874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1366 1.2112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3442 1.6163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5444 -0.6062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3619 -1.6412 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
3 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
9 13 1 0 0 0 0
16 19 1 0 0 0 0
1 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
24 2 1 0 0 0 0
15 30 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
31 37 1 0 0 0 0
32 38 1 0 0 0 0
33 39 1 0 0 0 0
34 20 1 0 0 0 0
40 41 1 0 0 0 0
36 40 1 0 0 0 0
42 43 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 2 40 41
M SBL 1 1 45
M SMT 1 ^ CH2OH
M SBV 1 45 0.6184 -0.6675
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 0.9230 -0.5247
S SKP 5
ID FL3FACDS0006
FORMULA C27H30O16
EXACTMASS 610.153384912
AVERAGEMASS 610.5175
SMILES C(c(c5O)c(cc(c45)OC(=CC4=O)c(c3)ccc(O)c3O)OC(C2O)OC(C(O)C2O)CO)(C(O)1)OC(C(O)C(O)1)CO
M END
