Mol:FL3FF8GS0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
35 38 0 0 0 0 0 0 0 0999 V2000
-0.0518 -0.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0518 -1.2893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6493 -1.6940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3502 -1.2893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3502 -0.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6493 -0.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0513 -1.6940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7525 -1.2893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7525 -0.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0513 -0.0750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0513 -2.4872 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4533 -0.0751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1677 -0.4876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8822 -0.0751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8822 0.7499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1677 1.1624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4533 0.7499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8592 -0.0136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1198 0.1648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4787 -0.6815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5555 -0.3225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6646 -0.3129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3119 0.3345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1196 -0.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8822 -0.1841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3118 -0.6697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7363 -0.8612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6493 -2.5019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6493 0.5863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2449 2.0219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7500 1.1559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9728 2.5019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6446 0.5613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6703 0.5613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1317 1.4496 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
18 1 1 0 0 0 0
19 20 1 1 0 0 0
20 21 1 1 0 0 0
22 21 1 1 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
24 19 1 0 0 0 0
19 25 1 0 0 0 0
20 26 1 0 0 0 0
21 27 1 0 0 0 0
22 18 1 0 0 0 0
3 28 1 0 0 0 0
29 30 1 0 0 0 0
6 29 1 0 0 0 0
31 32 1 0 0 0 0
17 31 1 0 0 0 0
33 34 2 0 0 0 0
33 35 1 0 0 0 0
24 33 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 29 30
M SBL 1 1 33
M SMT 1 OCH3
M SBV 1 33 0.0000 -0.6612
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 31 32
M SBL 2 1 35
M SMT 2 ^ OCH3
M SBV 2 35 0.7033 -0.4061
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 3 33 34 35
M SBL 3 1 38
M SMT 3 ^ COOH
M SBV 3 38 0.5249 -0.6530
S SKP 5
ID FL3FF8GS0002
FORMULA C23H22O12
EXACTMASS 490.111126168
AVERAGEMASS 490.41358
SMILES O(c(c2)c(OC)c(O3)c(C(=O)C=C3c(c4)c(OC)ccc4)c(O)2)C(O1)C(O)C(C(O)C1C(O)=O)O
M END
