Mol:FL5FADGA0026
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
65 71 0 0 0 0 0 0 0 0999 V2000
-2.6673 -0.7005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6673 -1.5099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9663 -1.9146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2653 -1.5099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2653 -0.7005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9663 -0.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5643 -1.9146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1367 -1.5099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1367 -0.7005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5643 -0.2958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5643 -2.5457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8374 -0.2959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5519 -0.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2664 -0.2959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2664 0.5291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5519 0.9416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8374 0.5291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3681 -0.2959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9235 -1.9807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9663 -2.7238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6883 -3.1560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2653 -3.8887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0788 -3.6562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8973 -3.8887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3204 -3.1560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5068 -3.3884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9668 -3.2711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8678 -1.3698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4448 -2.1026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2583 -1.8701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0768 -2.1026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4999 -1.3698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6864 -1.6023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1469 -1.5831 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0227 -1.1473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3968 -0.4651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7300 -1.9596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1449 -2.4856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6956 -3.7495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5677 -4.2690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8973 -4.6026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8847 0.9928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.8728 0.0446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0811 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3323 0.4665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0811 1.3507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8728 1.8079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6216 0.9288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5065 2.3838 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0395 1.9439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3530 1.4276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.5608 0.0290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0895 -0.0652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8319 -0.4938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0895 0.7907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8308 1.2187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8308 2.0747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5608 2.4960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5608 3.3391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8308 3.7604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1008 3.3391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1008 2.4960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8308 4.6026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5391 1.5425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0952 2.6732 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
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
44 43 1 1 0 0 0
44 45 1 0 0 0 0
45 46 1 0 0 0 0
46 47 1 0 0 0 0
47 48 1 1 0 0 0
48 43 1 1 0 0 0
47 49 1 0 0 0 0
46 50 1 0 0 0 0
48 51 1 0 0 0 0
43 52 1 0 0 0 0
44 18 1 0 0 0 0
36 53 1 0 0 0 0
53 54 2 0 0 0 0
53 55 1 0 0 0 0
55 56 2 0 0 0 0
56 57 1 0 0 0 0
57 58 2 0 0 0 0
58 59 1 0 0 0 0
59 60 2 0 0 0 0
60 61 1 0 0 0 0
61 62 2 0 0 0 0
62 57 1 0 0 0 0
60 63 1 0 0 0 0
64 65 1 0 0 0 0
16 64 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 64 65
M SBL 1 1 71
M SMT 1 ^ OCH3
M SBV 1 71 0.0128 -0.6010
S SKP 5
ID FL5FADGA0026
FORMULA C43H48O22
EXACTMASS 916.26372322
AVERAGEMASS 916.82802
SMILES C(COC(C7O)OC(C)C(C7O)O)(O1)C(OC(C=Cc(c6)ccc(c6)O)=O)C(O)C(C1OC(=C4c(c5)cc(c(O)c5)OC)C(=O)c(c(O)2)c(O4)cc(OC(O3)C(C(C(C3C)O)O)O)c2)O
M END
