Mol:FL5FECGS0048
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
50 54 0 0 0 0 0 0 0 0999 V2000
-1.0650 0.0254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0650 -0.7997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3505 -1.2123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3640 -0.7997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3640 0.0254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3505 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0785 -1.2123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7930 -0.7997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7930 0.0254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0785 0.4378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0785 -1.8555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6927 0.5967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4209 0.1761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1491 0.5967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1491 1.4376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4209 1.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6927 1.4376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3505 -2.0370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8061 1.8036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7052 0.4274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6261 -1.2845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4382 -2.6611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1258 -3.0581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9076 -2.2947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1258 -1.5265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4382 -1.1293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6563 -1.8929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4995 -1.8929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5130 -3.3629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0042 -3.8053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4631 -2.6677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1583 0.5818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4837 0.1923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6977 0.9413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4837 1.6948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1583 2.0844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9443 1.3353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7897 2.6384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5288 2.3029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6542 1.7661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7680 0.5720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4209 2.6986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3748 1.7661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8061 2.5131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7187 1.1706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7897 3.3525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3566 3.8053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1611 3.7155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6461 -1.1352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7284 -1.6650 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
43 44 2 0 0 0 0
43 45 1 0 0 0 0
40 43 1 0 0 0 0
38 46 1 0 0 0 0
46 47 2 0 0 0 0
46 48 1 0 0 0 0
49 50 1 0 0 0 0
2 49 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 49 50
M SBL 1 1 54
M SMT 1 ^OCH3
M SBV 1 54 0.5811 0.3355
S SKP 5
ID FL5FECGS0048
FORMULA C32H36O18
EXACTMASS 708.190164348
AVERAGEMASS 708.61744
SMILES CC(=O)OC(C5OC(C)=O)C(O)C(OC5C)Oc(c(OC)4)cc(c(c4O)2)OC(=C(OC(C(O)3)OC(C(O)C3O)C)C2=O)c(c1)ccc(O)c1O
M END
