Mol:FL5FDJGS0001
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 |
| − | -4.0531 -0.2025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0531 -0.2025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0531 -1.0274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0531 -1.0274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3385 -1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3385 -1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6240 -1.0274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6240 -1.0274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6240 -0.2025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6240 -0.2025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3385 0.2100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3385 0.2100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9096 -1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9096 -1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1951 -1.0274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1951 -1.0274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1951 -0.2025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1951 -0.2025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9096 0.2100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9096 0.2100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9096 -2.0831 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9096 -2.0831 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4809 0.2099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4809 0.2099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2472 -0.2105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2472 -0.2105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9754 0.2099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9754 0.2099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9754 1.0507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9754 1.0507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2472 1.4710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2472 1.4710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4809 1.0507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4809 1.0507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3385 -2.2646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3385 -2.2646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.8378 0.0524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.8378 0.0524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7265 0.2454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7265 0.2454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3401 -0.4237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3401 -0.4237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0830 -0.2114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0830 -0.2114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8306 -0.4237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8306 -0.4237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2170 0.2454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2170 0.2454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4739 0.0332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4739 0.0332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1753 0.1756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1753 0.1756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8381 0.5794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8381 0.5794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.8378 0.0872 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.8378 0.0872 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7033 -0.2105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7033 -0.2105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2472 2.3116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2472 2.3116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7254 1.4546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7254 1.4546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6430 0.9248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6430 0.9248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0829 -1.6696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0829 -1.6696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0294 -2.3116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0294 -2.3116 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 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 22 1 1 0 0 0 | + | 21 22 1 1 0 0 0 |
| − | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
| − | 24 23 1 1 0 0 0 | + | 24 23 1 1 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 20 1 0 0 0 0 | + | 25 20 1 0 0 0 0 |
| − | 20 26 1 0 0 0 0 | + | 20 26 1 0 0 0 0 |
| − | 25 27 1 0 0 0 0 | + | 25 27 1 0 0 0 0 |
| − | 24 28 1 0 0 0 0 | + | 24 28 1 0 0 0 0 |
| − | 14 29 1 0 0 0 0 | + | 14 29 1 0 0 0 0 |
| − | 21 29 1 0 0 0 0 | + | 21 29 1 0 0 0 0 |
| − | 16 30 1 0 0 0 0 | + | 16 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 |
| − | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
| − | 8 33 1 0 0 0 0 | + | 8 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 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 -0.7500 -0.4039 | + | M SBV 1 35 -0.7500 -0.4039 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 33 34 | + | M SAL 2 2 33 34 |
| − | M SBL 2 1 37 | + | M SBL 2 1 37 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SBV 2 37 -1.1122 0.6422 | + | M SBV 2 37 -1.1122 0.6422 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FDJGS0001 | + | ID FL5FDJGS0001 |
| − | FORMULA C22H22O12 | + | FORMULA C22H22O12 |
| − | EXACTMASS 478.111126168 | + | EXACTMASS 478.111126168 |
| − | AVERAGEMASS 478.40288000000004 | + | AVERAGEMASS 478.40288000000004 |
| − | SMILES c(c2C(=C(OC)4)Oc(c3)c(C4=O)c(cc3O)O)c(O)c(OC)c(c2)OC(C(O)1)OCC(C(O)1)O | + | SMILES c(c2C(=C(OC)4)Oc(c3)c(C4=O)c(cc3O)O)c(O)c(OC)c(c2)OC(C(O)1)OCC(C(O)1)O |
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
-4.0531 -0.2025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0531 -1.0274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3385 -1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6240 -1.0274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6240 -0.2025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3385 0.2100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9096 -1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1951 -1.0274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1951 -0.2025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9096 0.2100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9096 -2.0831 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4809 0.2099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2472 -0.2105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9754 0.2099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9754 1.0507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2472 1.4710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4809 1.0507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3385 -2.2646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.8378 0.0524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7265 0.2454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3401 -0.4237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0830 -0.2114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8306 -0.4237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2170 0.2454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4739 0.0332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1753 0.1756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8381 0.5794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8378 0.0872 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7033 -0.2105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2472 2.3116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7254 1.4546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6430 0.9248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0829 -1.6696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0294 -2.3116 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
3 18 1 0 0 0 0
1 19 1 0 0 0 0
20 21 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 20 1 0 0 0 0
20 26 1 0 0 0 0
25 27 1 0 0 0 0
24 28 1 0 0 0 0
14 29 1 0 0 0 0
21 29 1 0 0 0 0
16 30 1 0 0 0 0
31 32 1 0 0 0 0
15 31 1 0 0 0 0
33 34 1 0 0 0 0
8 33 1 0 0 0 0
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 -0.7500 -0.4039
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 33 34
M SBL 2 1 37
M SMT 2 OCH3
M SBV 2 37 -1.1122 0.6422
S SKP 5
ID FL5FDJGS0001
FORMULA C22H22O12
EXACTMASS 478.111126168
AVERAGEMASS 478.40288000000004
SMILES c(c2C(=C(OC)4)Oc(c3)c(C4=O)c(cc3O)O)c(O)c(OC)c(c2)OC(C(O)1)OCC(C(O)1)O
M END
