Mol:FL7AAIGL0037
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
57 62 0 0 0 0 0 0 0 0999 V2000
-3.0931 1.6621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0931 0.8371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3787 0.4246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6642 0.8371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6642 1.6621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3787 2.0746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9497 0.4246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2353 0.8371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2353 1.6621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9497 2.0746 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
0.5413 2.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2558 1.6979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9702 2.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9702 2.9354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2558 3.3479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5413 2.9354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6104 3.3050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6731 1.9969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3787 -0.3381 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6352 1.7265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2558 4.0255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8140 4.3478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3522 2.1405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4149 0.4617 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7024 0.6760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0860 0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9106 0.0931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6027 -0.3564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2191 0.1922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3945 0.2265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8848 0.7554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3348 0.6892 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9333 -0.1999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3219 -0.3535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6624 -1.0713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1752 -1.8112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7219 -2.5009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5272 -2.3204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3121 -2.5755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7655 -1.8860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9601 -2.0663 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5893 -1.9323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0440 -3.0167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3187 -3.2837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0009 -2.2299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6031 -2.9189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0177 -3.6369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2208 -2.9189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6333 -3.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4583 -3.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8708 -2.9189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6958 -2.9189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1083 -3.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6958 -4.3478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8708 -4.3478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9333 -3.6333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1992 -2.4154 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 2 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 5 1 0 0 0 0
9 11 1 0 0 0 0
11 12 2 0 0 0 0
12 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 11 1 0 0 0 0
14 17 1 0 0 0 0
1 18 1 0 0 0 0
3 19 1 0 0 0 0
13 20 1 0 0 0 0
15 21 1 0 0 0 0
21 22 1 0 0 0 0
20 23 1 0 0 0 0
8 24 1 0 0 0 0
25 26 1 0 0 0 0
26 27 1 1 0 0 0
28 27 1 1 0 0 0
29 28 1 1 0 0 0
29 30 1 0 0 0 0
30 25 1 0 0 0 0
25 31 1 0 0 0 0
30 32 1 0 0 0 0
29 33 1 0 0 0 0
28 34 1 0 0 0 0
34 35 1 0 0 0 0
36 37 1 0 0 0 0
37 38 1 1 0 0 0
39 38 1 1 0 0 0
40 39 1 1 0 0 0
40 41 1 0 0 0 0
41 36 1 0 0 0 0
35 40 1 0 0 0 0
36 42 1 0 0 0 0
38 43 1 0 0 0 0
39 44 1 0 0 0 0
26 24 1 0 0 0 0
45 46 1 0 0 0 0
46 47 2 0 0 0 0
46 48 1 0 0 0 0
48 49 2 0 0 0 0
49 50 1 0 0 0 0
50 51 2 0 0 0 0
51 52 1 0 0 0 0
52 53 2 0 0 0 0
53 54 1 0 0 0 0
54 55 2 0 0 0 0
55 50 1 0 0 0 0
53 56 1 0 0 0 0
45 37 1 0 0 0 0
52 57 1 0 0 0 0
M CHG 1 10 1
S SKP 5
ID FL7AAIGL0037
FORMULA C38H41O19
EXACTMASS 801.22420413
AVERAGEMASS 801.72074
SMILES c(c6)(cc([o+1]1)c(c6O)cc(OC(C(O)5)OC(C(C5O)O)COC(C4O)OC(C(C(O)4)OC(=O)C=Cc(c3)cc(O)c(O)c3)C)c(c(c2)cc(c(O)c(OC)2)OC)1)O
M END
