Mol:FL5FABGI0025
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
57 61 0 0 0 0 0 0 0 0999 V2000
1.7423 2.0998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0278 2.5123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0278 3.3374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7423 3.7499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4569 3.3374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4569 2.5123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3132 2.0998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4012 2.5123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1158 2.0998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1158 1.2747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4012 0.8622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3132 1.2747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8303 2.5123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5448 2.0998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5448 1.2747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8303 0.8622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4012 0.1552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0603 3.6858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9225 0.9230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8303 0.1866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2135 2.4859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8303 3.2758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4337 3.6241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4337 4.3492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7702 4.7322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1207 4.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7649 3.2791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1938 -0.3165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4075 -1.1137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3003 -0.6893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1256 -0.6847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3394 0.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6315 -0.3119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2692 -1.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0283 -1.4795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9396 -0.9711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8445 -0.5316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5257 -1.2554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0770 -0.9310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5270 -1.7568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2827 -3.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4825 -3.2273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0760 -2.5090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3603 -2.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1604 -1.8957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5670 -2.6140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1777 -2.5465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8140 -3.0069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6273 -3.7914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9724 -3.6315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2609 -2.5638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5894 -4.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0770 -4.7458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0421 -4.7055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3047 -3.4025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7649 -3.0453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3132 -3.9319 0.0000 C 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
11 17 2 0 0 0 0
5 18 1 0 0 0 0
12 19 1 0 0 0 0
16 20 1 0 0 0 0
14 21 1 0 0 0 0
13 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 2 0 0 0 0
24 25 1 0 0 0 0
24 26 1 0 0 0 0
18 27 1 0 0 0 0
28 29 1 0 0 0 0
29 30 1 1 0 0 0
31 30 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
31 34 1 0 0 0 0
30 35 1 0 0 0 0
29 36 1 0 0 0 0
28 37 1 0 0 0 0
36 38 1 0 0 0 0
38 39 2 0 0 0 0
38 40 1 0 0 0 0
32 19 1 0 0 0 0
41 42 1 1 0 0 0
42 43 1 1 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 41 1 0 0 0 0
46 47 1 0 0 0 0
47 48 1 0 0 0 0
41 49 1 0 0 0 0
42 50 1 0 0 0 0
43 51 1 0 0 0 0
44 35 1 0 0 0 0
49 52 1 0 0 0 0
52 53 2 0 0 0 0
52 54 1 0 0 0 0
48 55 1 0 0 0 0
55 56 2 0 0 0 0
55 57 1 0 0 0 0
S SKP 5
ID FL5FABGI0025
FORMULA C39H46O18
EXACTMASS 802.2684146680001
AVERAGEMASS 802.77174
SMILES C(C1OC(=C4c(c5)ccc(c5)OC)C(=O)c(c(O)3)c(O4)c(c(O)c3)CC=C(C)C)(C(OC(O2)C(C(C(C(COC(C)=O)2)OC(C)=O)O)O)C(OC(C)=O)C(O1)C)O
M END
