Mol:FL7AAHGO0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 32 35 0 0 0 0 0 0 0 0999 V2000 | + | 32 35 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.6560 -0.6239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6560 -0.6239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6560 -1.4489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6560 -1.4489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9415 -1.8613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9415 -1.8613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2271 -1.4489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2271 -1.4489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2271 -0.6239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2271 -0.6239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9415 -0.2113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9415 -0.2113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5126 -1.8613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5126 -1.8613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2019 -1.4489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2019 -1.4489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2019 -0.6239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2019 -0.6239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5126 -0.2113 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 | + | -0.5126 -0.2113 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9161 -0.2115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9161 -0.2115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6441 -0.6320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6441 -0.6320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3723 -0.2115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3723 -0.2115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3723 0.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3723 0.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6441 1.0497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6441 1.0497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9161 0.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9161 0.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3702 -0.2115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3702 -0.2115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0529 1.0844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0529 1.0844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9415 -2.6861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9415 -2.6861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0250 -1.9414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0250 -1.9414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1071 -1.9606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1071 -1.9606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5794 -2.4035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5794 -2.4035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2666 -2.4522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2666 -2.4522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8281 -2.8580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8281 -2.8580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3560 -2.4152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3560 -2.4152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6687 -2.3665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6687 -2.3665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5400 -1.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5400 -1.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9304 -2.0614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9304 -2.0614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3702 -1.6447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3702 -1.6447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1003 -0.6318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1003 -0.6318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6384 1.7057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6384 1.7057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2054 2.8580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2054 2.8580 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 2 0 0 0 0 | + | 7 8 2 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 9 10 2 0 0 0 0 | + | 9 10 2 0 0 0 0 |
| − | 10 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
| − | 9 11 1 0 0 0 0 | + | 9 11 1 0 0 0 0 |
| − | 11 12 2 0 0 0 0 | + | 11 12 2 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
| − | 13 14 2 0 0 0 0 | + | 13 14 2 0 0 0 0 |
| − | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 15 16 2 0 0 0 0 | + | 15 16 2 0 0 0 0 |
| − | 16 11 1 0 0 0 0 | + | 16 11 1 0 0 0 0 |
| − | 1 17 1 0 0 0 0 | + | 1 17 1 0 0 0 0 |
| − | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 20 8 1 0 0 0 0 | + | 20 8 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
| − | 23 24 1 1 0 0 0 | + | 23 24 1 1 0 0 0 |
| − | 25 24 1 1 0 0 0 | + | 25 24 1 1 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 21 1 0 0 0 0 | + | 26 21 1 0 0 0 0 |
| − | 21 27 1 0 0 0 0 | + | 21 27 1 0 0 0 0 |
| − | 26 28 1 0 0 0 0 | + | 26 28 1 0 0 0 0 |
| − | 25 29 1 0 0 0 0 | + | 25 29 1 0 0 0 0 |
| − | 22 20 1 0 0 0 0 | + | 22 20 1 0 0 0 0 |
| − | 13 30 1 0 0 0 0 | + | 13 30 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | 15 31 1 0 0 0 0 | + | 15 31 1 0 0 0 0 |
| − | M CHG 1 10 1 | + | M CHG 1 10 1 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 31 32 | + | M SAL 1 2 31 32 |
| − | M SBL 1 1 35 | + | M SBL 1 1 35 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SBV 1 35 0.0058 -0.6560 | + | M SBV 1 35 0.0058 -0.6560 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL7AAHGS0001 | + | ID FL7AAHGS0001 |
| − | FORMULA C21H21O11 | + | FORMULA C21H21O11 |
| − | EXACTMASS 449.108386514 | + | EXACTMASS 449.108386514 |
| − | AVERAGEMASS 449.38484 | + | AVERAGEMASS 449.38484 |
| − | SMILES C(O1)(Oc(c(c(c4)cc(OC)c(O)c(O)4)3)cc(c2[o+1]3)c(cc(O)c2)O)C(O)C(C(O)C1)O | + | SMILES C(O1)(Oc(c(c(c4)cc(OC)c(O)c(O)4)3)cc(c2[o+1]3)c(cc(O)c2)O)C(O)C(C(O)C1)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
32 35 0 0 0 0 0 0 0 0999 V2000
-2.6560 -0.6239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6560 -1.4489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9415 -1.8613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2271 -1.4489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2271 -0.6239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9415 -0.2113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5126 -1.8613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2019 -1.4489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2019 -0.6239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5126 -0.2113 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
0.9161 -0.2115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6441 -0.6320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3723 -0.2115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3723 0.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6441 1.0497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9161 0.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3702 -0.2115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0529 1.0844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9415 -2.6861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0250 -1.9414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1071 -1.9606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5794 -2.4035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2666 -2.4522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8281 -2.8580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3560 -2.4152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6687 -2.3665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5400 -1.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9304 -2.0614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3702 -1.6447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1003 -0.6318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6384 1.7057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2054 2.8580 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 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
22 20 1 0 0 0 0
13 30 1 0 0 0 0
31 32 1 0 0 0 0
15 31 1 0 0 0 0
M CHG 1 10 1
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 31 32
M SBL 1 1 35
M SMT 1 OCH3
M SBV 1 35 0.0058 -0.6560
S SKP 5
ID FL7AAHGS0001
FORMULA C21H21O11
EXACTMASS 449.108386514
AVERAGEMASS 449.38484
SMILES C(O1)(Oc(c(c(c4)cc(OC)c(O)c(O)4)3)cc(c2[o+1]3)c(cc(O)c2)O)C(O)C(C(O)C1)O
M END
