Mol:FL3FACGS0041
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
45 49 0 0 0 0 0 0 0 0999 V2000
-4.1611 -1.1032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1611 -1.9432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4337 -2.3631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7063 -1.9432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7063 -1.1032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4337 -0.6834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9791 -2.3631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2517 -1.9432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2517 -1.1032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9791 -0.6834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9791 -3.2387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5246 -0.6835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2166 -1.1115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9579 -0.6835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9579 0.1724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2166 0.6005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5246 0.1724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9988 -0.6197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4337 -3.2011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7744 0.5822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8995 1.0743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5350 0.4428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2361 0.6432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9415 0.4428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3062 1.0743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6050 0.8740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0820 0.9691 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2045 1.5171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9988 0.8311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9601 2.4217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8601 1.6247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1195 1.5108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5323 1.1801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7115 1.8491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4574 1.9840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5862 2.4217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5334 1.9709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8187 0.7688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2235 1.3826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6887 2.8494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3607 3.2374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0143 3.2387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5909 0.4621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9789 1.1341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9789 -0.2100 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
18 1 1 0 0 0 0
3 19 1 0 0 0 0
15 20 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 1 0 0 0
23 24 1 1 0 0 0
25 24 1 1 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
21 27 1 0 0 0 0
26 28 1 0 0 0 0
25 29 1 0 0 0 0
22 20 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 39 1 0 0 0 0
39 16 1 0 0 0 0
40 41 2 0 0 0 0
40 42 1 0 0 0 0
35 40 1 0 0 0 0
43 44 2 0 0 0 0
43 45 1 0 0 0 0
24 43 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 3 40 41 42
M SBL 1 1 46
M SMT 1 ^COOH
M SBV 1 46 0.2313 -0.8653
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 3 43 44 45
M SBL 2 1 49
M SMT 2 COOH
M SBV 2 49 -0.6493 -0.0192
S SKP 5
ID FL3FACGS0041
FORMULA C27H26O18
EXACTMASS 638.111914028
AVERAGEMASS 638.4845399999999
SMILES Oc(c1)cc(c(C(=O)5)c1OC(=C5)c(c2)ccc(OC(C4O)OC(C(O)=O)C(O)C(O)4)c2OC(C3O)OC(C(O)=O)C(C3O)O)O
M END
