Mol:FL5FECGS0041
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
47 51 0 0 0 0 0 0 0 0999 V2000
-1.7939 0.9793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7939 0.1543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0793 -0.2582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3648 0.1543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3648 0.9793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0793 1.3919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3497 -0.2582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0644 0.1543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0644 0.9793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3497 1.3919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3497 -1.0597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9640 1.5508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6923 1.1302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4206 1.5508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4206 2.3916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6923 2.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9640 2.3916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0793 -1.0830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2000 2.8416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4516 1.3332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8590 -0.3375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6064 -1.6452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2941 -2.0422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0758 -1.2788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2941 -0.5105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6064 -0.1135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8246 -0.8770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6678 -0.8770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5989 -2.4503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1923 -2.6718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5705 -1.6928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8066 1.6226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1320 1.2331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3461 1.9821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1320 2.7355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8066 3.1251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5926 2.3762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5812 3.6985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1320 3.2217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2599 2.9086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4164 1.5716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6923 3.6528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8267 -3.0431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4164 -2.6318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8311 -3.6985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4697 -0.2358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5521 -0.7657 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
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
4 3 1 0 0 0 0
1 20 1 0 0 0 0
21 8 1 0 0 0 0
23 22 1 1 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 27 1 1 0 0 0
27 22 1 1 0 0 0
27 28 1 0 0 0 0
22 29 1 0 0 0 0
23 30 1 0 0 0 0
24 31 1 0 0 0 0
26 21 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
36 38 1 0 0 0 0
35 39 1 0 0 0 0
37 40 1 0 0 0 0
32 41 1 0 0 0 0
20 33 1 0 0 0 0
16 42 1 0 0 0 0
30 43 1 0 0 0 0
43 44 2 0 0 0 0
43 45 1 0 0 0 0
46 47 1 0 0 0 0
2 46 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 46 47
M SBL 1 1 51
M SMT 1 ^OCH3
M SBV 1 51 0.6758 0.3902
S SKP 5
ID FL5FECGS0041
FORMULA C30H34O17
EXACTMASS 666.179599662
AVERAGEMASS 666.58076
SMILES O(c31)C(c(c5)ccc(O)c5O)=C(OC(O4)C(C(O)C(C4C)OC(C)=O)O)C(=O)c1c(O)c(c(c3)OC(O2)C(O)C(O)C(C2C)O)OC
M END
