Mol:FL5FACGL0052
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
65 71 0 0 0 0 0 0 0 0999 V2000
-1.5756 -0.5446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5756 -1.3695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8610 -1.7820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1465 -1.3695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1465 -0.5446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8610 -0.1320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5679 -1.7820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2824 -1.3695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2824 -0.5446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5679 -0.1320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5679 -2.4252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9966 -0.1322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7247 -0.5525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4529 -0.1322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4529 0.7087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7247 1.1290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9966 0.7087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2897 -0.1322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0168 -1.8084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8610 -2.6066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6312 -3.3819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2000 -4.1287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0292 -3.8918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8632 -4.1287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2945 -3.3819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4653 -3.6188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8538 -3.5122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0527 -1.3314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6216 -2.0782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4507 -1.8413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2847 -2.0782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7160 -1.3314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8868 -1.5683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5228 -1.3631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4166 -0.9386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.3224 -1.4179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9117 -2.0177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1396 -2.6191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6835 -3.9956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4900 -4.4762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8646 -4.8576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2670 1.1787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7247 1.9696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4097 3.4054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5169 2.5498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3120 2.4274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9845 2.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7501 2.7906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9494 2.9355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3045 3.5216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0453 2.9760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6342 1.7104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6289 1.1280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5217 0.2724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7264 0.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0540 -0.2483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2883 0.5133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0892 0.6580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3224 1.1821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.0839 0.6163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4249 -0.5877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2130 1.4245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8514 2.5389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7637 3.7433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1253 4.8576 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
1 18 1 0 0 0 0
8 19 1 0 0 0 0
3 20 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 1 0 0 0
23 24 1 1 0 0 0
25 24 1 1 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
21 27 1 0 0 0 0
28 29 1 0 0 0 0
29 30 1 1 0 0 0
30 31 1 1 0 0 0
32 31 1 1 0 0 0
32 33 1 0 0 0 0
33 28 1 0 0 0 0
28 34 1 0 0 0 0
33 35 1 0 0 0 0
32 36 1 0 0 0 0
31 37 1 0 0 0 0
25 38 1 0 0 0 0
37 38 1 0 0 0 0
22 39 1 0 0 0 0
23 40 1 0 0 0 0
24 41 1 0 0 0 0
29 19 1 0 0 0 0
42 15 1 0 0 0 0
16 43 1 0 0 0 0
44 45 1 1 0 0 0
45 46 1 1 0 0 0
47 46 1 1 0 0 0
47 48 1 0 0 0 0
48 49 1 0 0 0 0
49 44 1 0 0 0 0
44 50 1 0 0 0 0
45 51 1 0 0 0 0
46 52 1 0 0 0 0
43 47 1 0 0 0 0
53 54 1 1 0 0 0
54 55 1 1 0 0 0
56 55 1 1 0 0 0
56 57 1 0 0 0 0
57 58 1 0 0 0 0
58 53 1 0 0 0 0
53 59 1 0 0 0 0
54 60 1 0 0 0 0
55 61 1 0 0 0 0
56 18 1 0 0 0 0
62 63 1 0 0 0 0
58 62 1 0 0 0 0
64 65 1 0 0 0 0
49 64 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 62 63
M SBL 1 1 69
M SMT 1 ^ CH2OH
M SBV 1 69 0.1237 -0.7665
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 64 65
M SBL 2 1 71
M SMT 2 ^ CH2OH
M SBV 2 71 0.1856 -0.8077
S SKP 5
ID FL5FACGL0052
FORMULA C39H50O26
EXACTMASS 934.2590317720001
AVERAGEMASS 934.7987
SMILES C(C(O)1)(O)C(C(OC(OCC(C(O)7)OC(C(O)C7O)OC(=C(c(c5)ccc(c(OC(O6)C(O)C(C(C(CO)6)O)O)5)O)2)C(=O)c(c(O)3)c(cc(OC(C(O)4)OC(C(O)C4O)CO)c3)O2)1)C)O
M END
