Mol:FL3FF9GS0008
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 34 37 0 0 0 0 0 0 0 0999 V2000 | + | 34 37 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.1164 0.1028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1164 0.1028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1164 -0.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1164 -0.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5846 -1.1755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5846 -1.1755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2857 -0.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2857 -0.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2857 0.0388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2857 0.0388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5846 0.4435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5846 0.4435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9868 -1.1755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9868 -1.1755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6877 -0.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6877 -0.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6877 0.0388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6877 0.0388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9868 0.4435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9868 0.4435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9868 -1.9370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9868 -1.9370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3885 0.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3885 0.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1030 0.0309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1030 0.0309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.8176 0.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.8176 0.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.8176 1.2683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.8176 1.2683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1030 1.6808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1030 1.6808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3885 1.2683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3885 1.2683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8334 0.5167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8334 0.5167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0372 0.2701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0372 0.2701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3960 -0.5761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3960 -0.5761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4728 -0.2170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4728 -0.2170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5820 -0.2075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5820 -0.2075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2293 0.4400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2293 0.4400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1724 0.1014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1724 0.1014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.7114 -0.1038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.7114 -0.1038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2689 -0.5862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2689 -0.5862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7362 -0.7352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7362 -0.7352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5846 -1.9160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5846 -1.9160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6950 -2.5571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6950 -2.5571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7918 0.7592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7918 0.7592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.8176 0.7592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.8176 0.7592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2771 1.6508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2771 1.6508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5846 1.1573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5846 1.1573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2600 2.5571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2600 2.5571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 2 3 2 0 0 0 0 | + | 2 3 2 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 4 5 2 0 0 0 0 | + | 4 5 2 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 1 2 0 0 0 0 | + | 6 1 2 0 0 0 0 |
| − | 4 7 1 0 0 0 0 | + | 4 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 9 2 0 0 0 0 | + | 8 9 2 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
| − | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
| − | 9 12 1 0 0 0 0 | + | 9 12 1 0 0 0 0 |
| − | 12 13 2 0 0 0 0 | + | 12 13 2 0 0 0 0 |
| − | 13 14 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
| − | 14 15 2 0 0 0 0 | + | 14 15 2 0 0 0 0 |
| − | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 16 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
| − | 17 12 1 0 0 0 0 | + | 17 12 1 0 0 0 0 |
| − | 18 1 1 0 0 0 0 | + | 18 1 1 0 0 0 0 |
| − | 19 20 1 1 0 0 0 | + | 19 20 1 1 0 0 0 |
| − | 20 21 1 1 0 0 0 | + | 20 21 1 1 0 0 0 |
| − | 22 21 1 1 0 0 0 | + | 22 21 1 1 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 19 1 0 0 0 0 | + | 24 19 1 0 0 0 0 |
| − | 19 25 1 0 0 0 0 | + | 19 25 1 0 0 0 0 |
| − | 20 26 1 0 0 0 0 | + | 20 26 1 0 0 0 0 |
| − | 21 27 1 0 0 0 0 | + | 21 27 1 0 0 0 0 |
| − | 22 18 1 0 0 0 0 | + | 22 18 1 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 3 28 1 0 0 0 0 | + | 3 28 1 0 0 0 0 |
| − | 30 31 2 0 0 0 0 | + | 30 31 2 0 0 0 0 |
| − | 30 32 1 0 0 0 0 | + | 30 32 1 0 0 0 0 |
| − | 24 30 1 0 0 0 0 | + | 24 30 1 0 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
| − | 6 33 1 0 0 0 0 | + | 6 33 1 0 0 0 0 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 28 29 | + | M SAL 1 2 28 29 |
| − | M SBL 1 1 32 | + | M SBL 1 1 32 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SBV 1 32 0.0000 0.7404 | + | M SBV 1 32 0.0000 0.7404 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 3 30 31 32 | + | M SAL 2 3 30 31 32 |
| − | M SBL 2 1 35 | + | M SBL 2 1 35 |
| − | M SMT 2 ^ COOH | + | M SMT 2 ^ COOH |
| − | M SBV 2 35 0.6194 -0.6578 | + | M SBV 2 35 0.6194 -0.6578 |
| − | M STY 1 3 SUP | + | M STY 1 3 SUP |
| − | M SLB 1 3 3 | + | M SLB 1 3 3 |
| − | M SAL 3 2 33 34 | + | M SAL 3 2 33 34 |
| − | M SBL 3 1 37 | + | M SBL 3 1 37 |
| − | M SMT 3 OCH3 | + | M SMT 3 OCH3 |
| − | M SBV 3 37 0.0000 -0.7138 | + | M SBV 3 37 0.0000 -0.7138 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FF9GS0008 | + | ID FL3FF9GS0008 |
| − | FORMULA C23H22O11 | + | FORMULA C23H22O11 |
| − | EXACTMASS 474.116211546 | + | EXACTMASS 474.116211546 |
| − | AVERAGEMASS 474.41418000000004 | + | AVERAGEMASS 474.41418000000004 |
| − | SMILES C(C(=O)1)=C(c(c4)cccc4)Oc(c(OC)2)c(c(cc2OC(O3)C(O)C(C(O)C3C(O)=O)O)OC)1 | + | SMILES C(C(=O)1)=C(c(c4)cccc4)Oc(c(OC)2)c(c(cc2OC(O3)C(O)C(C(O)C3C(O)=O)O)OC)1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
34 37 0 0 0 0 0 0 0 0999 V2000
-0.1164 0.1028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1164 -0.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5846 -1.1755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2857 -0.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2857 0.0388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5846 0.4435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9868 -1.1755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6877 -0.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6877 0.0388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9868 0.4435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9868 -1.9370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3885 0.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1030 0.0309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8176 0.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8176 1.2683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1030 1.6808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3885 1.2683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8334 0.5167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0372 0.2701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3960 -0.5761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4728 -0.2170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5820 -0.2075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2293 0.4400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1724 0.1014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7114 -0.1038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2689 -0.5862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7362 -0.7352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5846 -1.9160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6950 -2.5571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7918 0.7592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8176 0.7592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2771 1.6508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5846 1.1573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2600 2.5571 0.0000 C 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
28 29 1 0 0 0 0
3 28 1 0 0 0 0
30 31 2 0 0 0 0
30 32 1 0 0 0 0
24 30 1 0 0 0 0
33 34 1 0 0 0 0
6 33 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 28 29
M SBL 1 1 32
M SMT 1 OCH3
M SBV 1 32 0.0000 0.7404
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 3 30 31 32
M SBL 2 1 35
M SMT 2 ^ COOH
M SBV 2 35 0.6194 -0.6578
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 33 34
M SBL 3 1 37
M SMT 3 OCH3
M SBV 3 37 0.0000 -0.7138
S SKP 5
ID FL3FF9GS0008
FORMULA C23H22O11
EXACTMASS 474.116211546
AVERAGEMASS 474.41418000000004
SMILES C(C(=O)1)=C(c(c4)cccc4)Oc(c(OC)2)c(c(cc2OC(O3)C(O)C(C(O)C3C(O)=O)O)OC)1
M END
