Mol:FL5FACGL0012
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
43 47 0 0 0 0 0 0 0 0999 V2000
-2.8354 1.0389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8354 0.2294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1344 -0.1753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4334 0.2294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4334 1.0389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1344 1.4435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7324 -0.1753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0314 0.2294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0314 1.0389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7324 1.4435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7324 -0.8064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8512 1.5994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5657 1.1868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2802 1.5994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2802 2.4244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5657 2.8368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8512 2.4244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1344 -0.9845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0448 2.8658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4592 1.4435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6784 -0.2866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5657 3.6616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2196 -1.3275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4945 -0.9089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7246 -1.7139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4945 -2.5238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2857 -3.0024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9896 -2.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1682 -0.6962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4839 -2.4510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0040 -3.6616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4970 -1.5480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4111 -1.5479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7541 -0.9124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5295 -0.0210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6154 -0.0209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2723 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1131 -0.1712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9095 -2.0636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4592 -2.1590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4518 -1.0994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4736 -3.1930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7853 -3.2484 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
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
3 18 1 0 0 0 0
19 15 1 0 0 0 0
20 1 1 0 0 0 0
21 8 1 0 0 0 0
4 3 1 0 0 0 0
16 22 1 0 0 0 0
23 24 1 0 0 0 0
24 25 1 1 0 0 0
25 26 1 1 0 0 0
27 26 1 1 0 0 0
27 28 1 0 0 0 0
28 23 1 0 0 0 0
23 29 1 0 0 0 0
28 30 1 0 0 0 0
27 31 1 0 0 0 0
21 24 1 0 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 36 1 0 0 0 0
36 37 1 1 0 0 0
37 32 1 1 0 0 0
37 38 1 0 0 0 0
32 39 1 0 0 0 0
33 40 1 0 0 0 0
34 41 1 0 0 0 0
36 29 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 42 43
M SBL 1 1 47
M SMT 1 ^ CH2OH
M SBV 1 47 0.0209 0.6692
S SKP 5
ID FL5FACGL0012
FORMULA C27H30O16
EXACTMASS 610.153384912
AVERAGEMASS 610.5175
SMILES c(c5O)c(c(c(c5)3)C(C(=C(c(c4)ccc(O)c4O)O3)OC(C1OC(C2O)OC(C)C(C2O)O)OC(CO)C(C(O)1)O)=O)O
M END
