Mol:FL5FAAGL0099
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
65 71 0 0 0 0 0 0 0 0999 V2000
-2.3584 2.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3584 1.7330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6400 1.3183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9216 1.7330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9216 2.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6400 2.9772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2033 1.3183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5151 1.7330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5151 2.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2033 2.9772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2033 0.6714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2332 2.9771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9654 2.5543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6976 2.9771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6976 3.8225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9654 4.2452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2332 3.8225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0765 2.9771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4295 4.2451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2744 1.3312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6400 0.4891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7593 0.1868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0448 0.5992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2715 -0.1940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0448 -0.9919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7593 -1.4045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5326 -0.6113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6803 0.8641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1656 -1.0216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4925 -1.8488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6509 -0.4484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4104 -0.8499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9646 -0.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6146 0.0408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9184 0.2942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4720 -0.2945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7367 -1.1048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8652 -0.3314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0317 0.3696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4911 -2.6206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1037 -2.9743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7906 -3.0200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7906 -3.6880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2150 -4.0202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4460 -3.6386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1070 -4.0202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1070 -4.7835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4460 -5.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2150 -4.7835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7666 -3.6394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7666 -5.1643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4601 3.1052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7819 2.7137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9970 3.4666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7819 4.2241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4601 4.6159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2450 3.8628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2490 5.1651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8316 4.8177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8536 4.3343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.0317 3.0946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3270 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8597 1.6226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9721 -1.7820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0570 -1.5062 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
15 19 1 0 0 0 0
8 20 1 0 0 0 0
3 21 1 0 0 0 0
22 23 1 0 0 0 0
23 24 1 1 0 0 0
24 25 1 1 0 0 0
26 25 1 1 0 0 0
26 27 1 0 0 0 0
27 22 1 0 0 0 0
22 28 1 0 0 0 0
27 29 1 0 0 0 0
26 30 1 0 0 0 0
23 20 1 0 0 0 0
31 32 1 1 0 0 0
32 33 1 1 0 0 0
34 33 1 1 0 0 0
34 35 1 0 0 0 0
35 36 1 0 0 0 0
36 31 1 0 0 0 0
32 37 1 0 0 0 0
33 38 1 0 0 0 0
34 39 1 0 0 0 0
29 31 1 0 0 0 0
30 40 1 0 0 0 0
40 41 2 0 0 0 0
40 42 1 0 0 0 0
42 43 2 0 0 0 0
43 44 1 0 0 0 0
44 45 2 0 0 0 0
45 46 1 0 0 0 0
46 47 2 0 0 0 0
47 48 1 0 0 0 0
48 49 2 0 0 0 0
49 44 1 0 0 0 0
46 50 1 0 0 0 0
47 51 1 0 0 0 0
53 52 1 1 0 0 0
53 54 1 0 0 0 0
54 55 1 0 0 0 0
55 56 1 0 0 0 0
56 57 1 1 0 0 0
57 52 1 1 0 0 0
56 58 1 0 0 0 0
55 59 1 0 0 0 0
57 60 1 0 0 0 0
52 61 1 0 0 0 0
53 18 1 0 0 0 0
62 63 1 0 0 0 0
35 62 1 0 0 0 0
64 65 1 0 0 0 0
25 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 -0.4086 -0.4057
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 0.0727 0.7901
S SKP 5
ID FL5FAAGL0099
FORMULA C42H46O23
EXACTMASS 918.242987778
AVERAGEMASS 918.8008399999999
SMILES C(C5OC(C7O)OC(C(O)C7O)CO)(O)C(OC(CO)C5OC(C=Cc(c6)ccc(O)c6O)=O)OC(=C3c(c4)ccc(c4)O)C(c(c(O3)2)c(cc(c2)OC(O1)C(C(O)C(C1C)O)O)O)=O
M END
