Mol:FL7AAGGL0029
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
48 52 0 0 0 0 0 0 0 0999 V2000
-3.3881 1.9719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3881 1.1469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6737 0.7344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9592 1.1469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9592 1.9719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6737 2.3844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2448 0.7344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5304 1.1469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5304 1.9719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2448 2.3844 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
0.1838 2.3843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9120 1.9638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6401 2.3843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6401 3.2249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9120 3.6454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1838 3.2249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1022 2.3843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3680 3.6453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6737 -0.0902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2103 0.6751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6804 -0.5382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0293 -0.0403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2985 -0.8082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0266 -1.7048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6804 -2.1130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4562 -1.3280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7001 0.2073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0396 -1.7776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4759 -2.4934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0609 -2.5505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5174 0.5195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9072 -0.2407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6891 -0.0852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3962 -0.2021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9736 0.4015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2741 0.1765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2542 -0.1410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2329 -0.6373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1022 0.0081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9120 4.4859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4664 -3.1586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3018 -3.6020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8899 -3.2172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3004 -4.2907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3680 1.9639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4793 -3.6136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1104 -3.2492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4793 -4.4859 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
1 17 1 0 0 0 0
14 18 1 0 0 0 0
3 19 1 0 0 0 0
20 8 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
24 30 1 0 0 0 0
31 32 1 1 0 0 0
32 33 1 1 0 0 0
34 33 1 1 0 0 0
34 35 1 0 0 0 0
35 36 1 0 0 0 0
36 31 1 0 0 0 0
32 37 1 0 0 0 0
33 38 1 0 0 0 0
34 39 1 0 0 0 0
27 31 1 0 0 0 0
22 20 1 0 0 0 0
15 40 1 0 0 0 0
30 41 1 0 0 0 0
41 42 1 0 0 0 0
42 43 1 0 0 0 0
42 44 2 0 0 0 0
13 45 1 0 0 0 0
46 47 2 0 0 0 0
46 48 1 0 0 0 0
43 46 1 0 0 0 0
M CHG 1 10 1
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 3 46 47 48
M SBL 1 1 52
M SMT 1 ^ COOH
M SBV 1 52 0.5894 0.3964
S SKP 5
ID FL7AAGGL0029
FORMULA C29H31O19
EXACTMASS 683.14595381
AVERAGEMASS 683.54504
SMILES OC(C(OC(O5)C(C(O)C(C5)O)O)1)C(O)C(OC(Oc(c3c(c4)cc(c(c4O)O)O)cc(c([o+1]3)2)c(O)cc(O)c2)1)COC(CC(O)=O)=O
M END
