Mol:FL5FACGL0039
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
53 58 0 0 0 0 0 0 0 0999 V2000
-1.8703 0.9885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8703 0.1791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1693 -0.2256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4682 0.1791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4682 0.9885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1693 1.3933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2328 -0.2256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9338 0.1791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9338 0.9885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2328 1.3933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2328 -0.8567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6346 1.3932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3491 0.9807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0636 1.3932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0636 2.2182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3491 2.6306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6346 2.2182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1693 -1.0348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5711 1.3932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7778 2.6305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6602 -0.2106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3624 -1.4197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5162 -0.9312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7848 -1.8706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5162 -2.8157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3624 -3.3043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0940 -2.3648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1632 -0.5358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7240 -2.9386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0871 -4.0608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6946 -1.5688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6088 -1.5688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9518 -0.9332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7271 -0.0417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8130 -0.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4699 -0.6773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3106 -0.1919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1278 -2.1462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7997 -2.2816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7525 -1.0789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3491 3.4554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1322 1.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3406 1.2471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5918 2.1261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3406 3.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1322 3.4675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8812 2.5886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8046 4.0608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3421 3.7031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6124 3.1286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7997 1.6886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4845 -3.5868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2246 -3.5598 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
3 18 1 0 0 0 0
1 19 1 0 0 0 0
15 20 1 0 0 0 0
8 21 1 0 0 0 0
22 23 1 0 0 0 0
23 24 1 1 0 0 0
24 25 1 1 0 0 0
26 25 1 1 0 0 0
26 27 1 0 0 0 0
27 22 1 0 0 0 0
22 28 1 0 0 0 0
27 29 1 0 0 0 0
26 30 1 0 0 0 0
23 21 1 0 0 0 0
32 31 1 1 0 0 0
32 33 1 0 0 0 0
33 34 1 0 0 0 0
34 35 1 0 0 0 0
35 36 1 1 0 0 0
36 31 1 1 0 0 0
36 37 1 0 0 0 0
31 38 1 0 0 0 0
32 39 1 0 0 0 0
33 40 1 0 0 0 0
35 28 1 0 0 0 0
16 41 1 0 0 0 0
43 42 1 1 0 0 0
43 44 1 0 0 0 0
44 45 1 0 0 0 0
45 46 1 0 0 0 0
46 47 1 1 0 0 0
47 42 1 1 0 0 0
46 48 1 0 0 0 0
45 49 1 0 0 0 0
47 50 1 0 0 0 0
42 51 1 0 0 0 0
43 19 1 0 0 0 0
52 53 1 0 0 0 0
25 52 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 52 53
M SBL 1 1 58
M SMT 1 ^ CH2OH
M SBV 1 58 0.0318 0.7711
S SKP 5
ID FL5FACGL0039
FORMULA C33H40O20
EXACTMASS 756.21129372
AVERAGEMASS 756.6587
SMILES OC(C6O)C(C(OC(CO)6)OC(=C(c(c5)ccc(c(O)5)O)4)C(=O)c(c2O4)c(cc(OC(O3)C(O)C(O)C(C3C)O)c2)O)OC(C(O)1)OC(C(O)C1O)C
M END
