Mol:FL5FADGL0019
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
54 59 0 0 0 0 0 0 0 0999 V2000
-3.1256 1.0343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1256 0.2131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4144 -0.1975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7032 0.2131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7032 1.0343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4144 1.4449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9921 -0.1975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2809 0.2131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2809 1.0343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9921 1.4449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9921 -0.8378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4300 1.4447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1548 1.0262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8796 1.4447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8796 2.2816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1548 2.7002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4300 2.2816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8365 1.4447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4719 -0.2030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4144 -1.0184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1807 -1.7698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7516 -2.5132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5769 -2.2772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4072 -2.5132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8365 -1.7698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0110 -2.0056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4275 -1.8602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5211 0.3127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0919 -0.4306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9172 -0.1946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7475 -0.4306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1768 0.3127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3514 0.0770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7269 0.1995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8164 0.6436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8173 0.0368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4533 -0.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7437 -1.0717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1454 -2.2601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1014 -2.8586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4072 -3.2373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5755 2.6513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4456 -2.9517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9379 -3.6548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0952 -3.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7114 -3.7991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2038 -3.0960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3610 -3.2589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2220 -2.9398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5195 -3.4380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6699 -4.0360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6482 -4.5205 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1679 3.3734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7322 4.5205 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
43 44 1 0 0 0 0
44 45 1 1 0 0 0
45 46 1 1 0 0 0
47 46 1 1 0 0 0
47 48 1 0 0 0 0
48 43 1 0 0 0 0
43 49 1 0 0 0 0
44 50 1 0 0 0 0
45 51 1 0 0 0 0
46 52 1 0 0 0 0
47 39 1 0 0 0 0
53 54 1 0 0 0 0
16 53 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 53 54
M SBL 1 1 59
M SMT 1 OCH3
M SBV 1 59 -0.0130 -0.6732
S SKP 5
ID FL5FADGL0019
FORMULA C34H42O20
EXACTMASS 770.226943784
AVERAGEMASS 770.6852799999999
SMILES C(C3OC(=C(c(c6)cc(OC)c(c6)O)5)C(=O)c(c4O)c(O5)cc(c4)O)(C(O)C(O)C(O3)COC(O2)C(O)C(O)C(C2C)OC(C1O)OC(C)C(C1O)O)O
M END
