Mol:FL5FECGL0005
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
45 49 0 0 0 0 0 0 0 0999 V2000
-3.5856 0.8373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5856 0.0279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8846 -0.3769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1836 0.0279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1836 0.8373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8846 1.2421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4826 -0.3769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7816 0.0279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7816 0.8373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4826 1.2421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4826 -1.1844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0808 1.2419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6337 0.8295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3482 1.2419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3482 2.0669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6337 2.4794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0808 2.0669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8846 -1.1860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3320 -1.7961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8435 -2.6421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7829 -2.3736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7279 -2.6421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2864 -1.7133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2772 -2.0645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4247 -2.0392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2440 0.2308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7556 -0.6153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6949 -0.3467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6400 -0.6153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1287 0.2308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1891 -0.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0063 -0.3994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7218 0.5692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8430 0.1276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4340 -0.4104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0194 -0.9272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2343 -2.4790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1292 -2.9875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7307 -3.3042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3790 0.1043 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2864 1.2419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0625 2.4793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6337 3.3042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2556 -0.3589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3553 -0.8787 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
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 20 1 0 0 0 0
20 21 1 1 0 0 0
21 22 1 1 0 0 0
23 22 1 1 0 0 0
23 24 1 0 0 0 0
24 19 1 0 0 0 0
19 25 1 0 0 0 0
26 27 1 0 0 0 0
27 28 1 1 0 0 0
28 29 1 1 0 0 0
30 29 1 1 0 0 0
30 31 1 0 0 0 0
31 26 1 0 0 0 0
31 33 1 0 0 0 0
30 34 1 0 0 0 0
29 35 1 0 0 0 0
23 36 1 0 0 0 0
35 36 1 0 0 0 0
20 37 1 0 0 0 0
21 38 1 0 0 0 0
22 39 1 0 0 0 0
32 8 1 0 0 0 0
27 32 1 0 0 0 0
26 40 1 0 0 0 0
1 41 1 0 0 0 0
15 42 1 0 0 0 0
16 43 1 0 0 0 0
44 45 1 0 0 0 0
2 44 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 44 45
M SBL 1 1 49
M SMT 1 ^OCH3
M SBV 1 49 0.6700 0.3868
S SKP 5
ID FL5FECGL0005
FORMULA C28H32O17
EXACTMASS 640.163949598
AVERAGEMASS 640.54348
SMILES O(C(OC(=C4c(c5)cc(c(O)c5)O)C(=O)c(c(O)3)c(O4)cc(O)c3OC)2)C(C(C(C2O)O)O)COC(O1)C(C(C(O)C(C)1)O)O
M END
