Mol:FL5FFAGS0011
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
43 47 0 0 0 0 0 0 0 0999 V2000
0.0217 -0.2690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0217 -1.0940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7362 -1.5065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4508 -1.0940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4508 -0.2690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7362 0.1436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1653 -1.5065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8798 -1.0940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8798 -0.2690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1653 0.1436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1653 -2.3501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7796 0.3025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5077 -0.1181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2360 0.3025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2360 1.1433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5077 1.5638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7796 1.1433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7362 -2.3313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.8025 1.4703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6341 -1.5295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6419 0.1249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7362 0.9685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1024 0.3566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4278 -0.0328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6419 0.7162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4278 1.4697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1024 1.8593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8884 1.1102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7532 2.3501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4264 1.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6588 1.7046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6915 0.3263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.1439 1.7030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6671 1.0736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9806 1.3406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3182 1.3477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7996 1.8292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4002 1.5122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8025 1.4030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.3472 1.0566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4003 0.9263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.0550 2.1056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0314 1.8314 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
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
3 18 1 0 0 0 0
19 15 1 0 0 0 0
20 8 1 0 0 0 0
4 3 1 0 0 0 0
1 21 1 0 0 0 0
6 22 1 0 0 0 0
24 23 1 1 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
27 28 1 1 0 0 0
28 23 1 1 0 0 0
27 29 1 0 0 0 0
26 30 1 0 0 0 0
28 31 1 0 0 0 0
23 32 1 0 0 0 0
24 21 1 0 0 0 0
33 34 1 1 0 0 0
34 35 1 1 0 0 0
36 35 1 1 0 0 0
36 37 1 0 0 0 0
37 38 1 0 0 0 0
38 33 1 0 0 0 0
33 39 1 0 0 0 0
34 40 1 0 0 0 0
35 41 1 0 0 0 0
36 31 1 0 0 0 0
42 43 1 0 0 0 0
38 42 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 42 43
M SBL 1 1 47
M SMT 1 ^CH2OH
M SBV 1 47 0.6547 -0.5934
S SKP 5
ID FL5FFAGS0011
FORMULA C27H30O16
EXACTMASS 610.153384912
AVERAGEMASS 610.5175
SMILES C(C4O)(C)OC(C(C4OC(O5)C(O)C(O)C(O)C5CO)O)Oc(c3)c(O)c(c1c3O)OC(c(c2)ccc(O)c2)=C(C1=O)O
M END
