Mol:FL5FAAGS0129
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
61 66 0 0 0 0 0 0 0 0999 V2000
2.2416 3.2507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2416 2.4258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9561 2.0133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6705 2.4258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6705 3.2507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9561 3.6632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5272 2.0133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8127 2.4258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0982 2.0133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0982 1.1883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8127 0.7758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5272 1.1883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6162 2.4258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3306 2.0133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3306 1.1883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6162 0.7758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8127 0.0575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0836 2.3405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2048 0.7535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2712 3.5975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6162 0.0762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2312 -2.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8736 -2.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2237 -2.9210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2457 -1.6811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8547 -1.0992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4815 -0.0391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6688 0.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5923 0.9259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1077 1.5940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9205 1.4506 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9971 0.6290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7496 0.3734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2712 -0.5185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4176 -0.8203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9242 -0.5655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7531 1.3247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3538 -1.2653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1687 -1.3956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5096 -0.6441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1860 -0.1712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3711 -0.0408 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0300 -0.7924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0543 -1.8020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6242 -1.7469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3946 -0.6045 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0541 -2.1115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3487 -2.8824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6730 -2.1234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3386 -1.6358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0442 -0.8648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7198 -1.6237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9449 -2.0143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8503 -3.0221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7671 -3.0954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6745 -2.6309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1890 -0.8350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3286 -1.0328 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8155 -2.9497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9917 -2.9497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2274 -3.6632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 0 0 0 0
2 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
12 7 2 0 0 0 0
9 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 10 1 0 0 0 0
14 18 1 0 0 0 0
11 17 2 0 0 0 0
12 19 1 0 0 0 0
5 20 1 0 0 0 0
16 21 1 0 0 0 0
22 23 1 0 0 0 0
23 24 2 0 0 0 0
23 25 1 0 0 0 0
25 26 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 32 1 0 0 0 0
32 27 1 0 0 0 0
32 33 1 0 0 0 0
33 34 1 0 0 0 0
27 35 1 0 0 0 0
28 36 1 0 0 0 0
29 37 1 0 0 0 0
34 26 1 0 0 0 0
18 30 1 0 0 0 0
38 39 1 1 0 0 0
39 40 1 1 0 0 0
41 40 1 1 0 0 0
41 42 1 0 0 0 0
42 43 1 0 0 0 0
43 38 1 0 0 0 0
38 44 1 0 0 0 0
39 45 1 0 0 0 0
40 46 1 0 0 0 0
47 48 1 0 0 0 0
48 49 1 1 0 0 0
50 49 1 1 0 0 0
51 50 1 1 0 0 0
51 52 1 0 0 0 0
52 47 1 0 0 0 0
50 53 1 0 0 0 0
49 54 1 0 0 0 0
48 55 1 0 0 0 0
47 56 1 0 0 0 0
51 46 1 0 0 0 0
41 19 1 0 0 0 0
57 58 1 0 0 0 0
43 57 1 0 0 0 0
60 59 2 0 0 0 0
59 61 1 0 0 0 0
22 59 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 57 58
M SBL 1 1 63
M SMT 1 ^ CH2OH
M SBV 1 63 0.8410 0.0426
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 3 59 60 61
M SBL 2 1 66
M SMT 2 COOH
M SBV 2 66 -0.4156 0.6788
S SKP 5
ID FL5FAAGS0129
FORMULA C37H44O24
EXACTMASS 872.222252336
AVERAGEMASS 872.7308599999999
SMILES O(C(O6)C(O)C(O)C(O)C6C)C(C(O)1)C(OC(=C4c(c5)ccc(c5)O)C(=O)c(c(O4)2)c(cc(OC(O3)C(O)C(C(C3COCOC(=O)CC(O)=O)O)O)c2)O)OC(CO)C1O
M END
