Mol:FL3FAKGS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
36 39 0 0 0 0 0 0 0 0999 V2000
-1.4798 -0.8182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4798 -1.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7789 -2.0964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0778 -1.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0778 -0.8824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7789 -0.4775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6232 -2.0964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3241 -1.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3241 -0.8824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6232 -0.4775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6232 -2.8854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0248 -0.4777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7394 -0.8903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4538 -0.4777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4538 0.3472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7394 0.7597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0248 0.3472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7789 -2.9042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1680 -0.8902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2145 -0.4103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7226 0.9623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6071 0.0407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7505 -0.0911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0712 -0.4735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2785 0.3003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1412 0.4562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5206 1.0258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.2319 0.4313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3861 -0.9349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7394 1.4722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3430 2.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1746 0.7501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5206 1.5272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2971 1.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3847 2.5175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2246 1.6150 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 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
14 19 1 0 0 0 0
21 22 1 1 0 0 0
22 23 1 1 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 21 1 0 0 0 0
21 27 1 0 0 0 0
22 28 1 0 0 0 0
23 29 1 0 0 0 0
24 20 1 0 0 0 0
20 1 1 0 0 0 0
30 31 1 0 0 0 0
16 30 1 0 0 0 0
32 33 1 0 0 0 0
15 32 1 0 0 0 0
34 35 2 0 0 0 0
34 36 1 0 0 0 0
26 34 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 30 31
M SBL 1 1 34
M SMT 1 OCH3
M SBV 1 34 0.0000 -0.7125
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 32 33
M SBL 2 1 36
M SMT 2 OCH3
M SBV 2 36 -0.7208 -0.4029
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 3 34 35 36
M SBL 3 1 39
M SMT 3 ^ COOH
M SBV 3 39 0.1559 -0.9771
S SKP 5
ID FL3FAKGS0001
FORMULA C23H22O13
EXACTMASS 506.10604078999995
AVERAGEMASS 506.41298000000006
SMILES OC(C4C(O)=O)C(C(O)C(O4)Oc(c3)cc(c(c3O)1)OC(c(c2)cc(OC)c(OC)c2O)=CC1=O)O
M END
