Mol:FL5FADGL0005
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
45 49 0 0 0 0 0 0 0 0999 V2000
-4.5399 -0.2948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5399 -1.1199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8253 -1.5323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1108 -1.1199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1108 -0.2948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8253 0.1178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3963 -1.5323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6818 -1.1199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6818 -0.2948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3963 0.1178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3963 -2.1758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7821 0.2765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0538 -0.1439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6744 0.2765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6744 1.1174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0538 1.5379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7821 1.1174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8253 -2.3572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4169 1.5521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.3934 0.1981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2392 -1.3980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3197 -1.9571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4707 -1.9440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1530 -2.3517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7121 -1.7928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9216 -1.8059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3956 -1.3789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3860 -1.4472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2960 -1.9486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9565 -1.7414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6525 -1.5763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0936 -2.1352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8839 -2.1220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5663 -2.5299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1254 -1.9709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3350 -1.9839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0410 -1.4978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6755 -1.6666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1573 -1.1981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8713 -2.4149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5970 -3.4384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0391 2.2972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5277 3.4497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3934 -2.4262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1191 -3.4497 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
4 3 1 0 0 0 0
1 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
26 28 1 0 0 0 0
25 29 1 0 0 0 0
22 30 1 0 0 0 0
30 8 1 0 0 0 0
31 32 1 0 0 0 0
32 33 1 1 0 0 0
33 34 1 1 0 0 0
35 34 1 1 0 0 0
35 36 1 0 0 0 0
36 31 1 0 0 0 0
31 37 1 0 0 0 0
36 38 1 0 0 0 0
35 39 1 0 0 0 0
32 29 1 0 0 0 0
40 41 1 0 0 0 0
24 40 1 0 0 0 0
42 43 1 0 0 0 0
16 42 1 0 0 0 0
44 45 1 0 0 0 0
34 44 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 40 41
M SBL 1 1 45
M SMT 1 CH2OH
M SBV 1 45 -0.7182 0.0632
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 42 43
M SBL 2 1 47
M SMT 2 OCH3
M SBV 2 47 -0.0147 -0.7593
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 44 45
M SBL 3 1 49
M SMT 3 CH2OH
M SBV 3 49 -0.8271 -0.1037
S SKP 5
ID FL5FADGL0005
FORMULA C28H32O17
EXACTMASS 640.163949598
AVERAGEMASS 640.54348
SMILES O(C(=C4c(c5)cc(OC)c(O)c5)C(=O)c(c(O4)3)c(cc(O)c3)O)C(O1)C(O)C(O)C(OC(O2)C(O)C(C(O)C2CO)O)C1CO
M END
