Mol:FL4DAHGS0001
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 |
| − | -4.2902 -1.3152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2902 -1.3152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5862 -1.7216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5862 -1.7216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8823 -1.3152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8823 -1.3152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8823 -0.5023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8823 -0.5023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5862 -0.0959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5862 -0.0959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2902 -0.5023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2902 -0.5023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1783 -1.7216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1783 -1.7216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4744 -1.3152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4744 -1.3152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4744 -0.5023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4744 -0.5023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1783 -0.0959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1783 -0.0959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1783 -2.4296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1783 -2.4296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6909 -0.0977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6909 -0.0977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0236 -0.5101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0236 -0.5101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7381 -0.0977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7381 -0.0977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7381 0.7274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7381 0.7274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0236 1.1399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0236 1.1399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6909 0.7274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6909 0.7274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.8991 -0.1142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.8991 -0.1142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7371 -1.7453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7371 -1.7453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4526 1.1399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4526 1.1399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5862 -2.5336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5862 -2.5336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0249 1.8811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0249 1.8811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6160 2.3894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6160 2.3894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7404 1.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7404 1.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7336 1.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7336 1.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4697 0.9269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4697 0.9269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3454 1.4502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3454 1.4502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3522 1.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3522 1.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5187 2.5336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5187 2.5336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1056 1.9437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1056 1.9437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.8991 0.9143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.8991 0.9143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2302 0.8227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2302 0.8227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4766 -0.5479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4766 -0.5479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6470 -1.2237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6470 -1.2237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 2 0 0 0 0 | + | 1 2 2 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 3 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
| − | 6 1 1 0 0 0 0 | + | 6 1 1 0 0 0 0 |
| − | 3 7 1 0 0 0 0 | + | 3 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 4 1 0 0 0 0 | + | 10 4 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 |
| − | 6 18 1 0 0 0 0 | + | 6 18 1 0 0 0 0 |
| − | 8 19 1 0 0 0 0 | + | 8 19 1 0 0 0 0 |
| − | 15 20 1 0 0 0 0 | + | 15 20 1 0 0 0 0 |
| − | 2 21 1 0 0 0 0 | + | 2 21 1 0 0 0 0 |
| − | 16 22 1 0 0 0 0 | + | 16 22 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 25 1 1 0 0 0 | + | 24 25 1 1 0 0 0 |
| − | 26 25 1 1 0 0 0 | + | 26 25 1 1 0 0 0 |
| − | 27 26 1 1 0 0 0 | + | 27 26 1 1 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 28 23 1 0 0 0 0 | + | 28 23 1 0 0 0 0 |
| − | 20 24 1 0 0 0 0 | + | 20 24 1 0 0 0 0 |
| − | 25 29 1 0 0 0 0 | + | 25 29 1 0 0 0 0 |
| − | 28 30 1 0 0 0 0 | + | 28 30 1 0 0 0 0 |
| − | 27 31 1 0 0 0 0 | + | 27 31 1 0 0 0 0 |
| − | 26 32 1 0 0 0 0 | + | 26 32 1 0 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
| − | 14 33 1 0 0 0 0 | + | 14 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 33 34 | + | M SAL 1 2 33 34 |
| − | M SBL 1 1 37 | + | M SBL 1 1 37 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SBV 1 37 -0.7386 0.4502 | + | M SBV 1 37 -0.7386 0.4502 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL4DAHGS0001 | + | ID FL4DAHGS0001 |
| − | FORMULA C22H24O12 | + | FORMULA C22H24O12 |
| − | EXACTMASS 480.126776232 | + | EXACTMASS 480.126776232 |
| − | AVERAGEMASS 480.41876 | + | AVERAGEMASS 480.41876 |
| − | SMILES O(C)c(c2)c(c(cc(C(C3O)Oc(c4)c(c(O)cc4O)C3=O)2)O)OC(O1)C(C(C(O)C1C)O)O | + | SMILES O(C)c(c2)c(c(cc(C(C3O)Oc(c4)c(c(O)cc4O)C3=O)2)O)OC(O1)C(C(C(O)C1C)O)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
-4.2902 -1.3152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5862 -1.7216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8823 -1.3152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8823 -0.5023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5862 -0.0959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2902 -0.5023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1783 -1.7216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4744 -1.3152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4744 -0.5023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1783 -0.0959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1783 -2.4296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6909 -0.0977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0236 -0.5101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7381 -0.0977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7381 0.7274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0236 1.1399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6909 0.7274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8991 -0.1142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7371 -1.7453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4526 1.1399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5862 -2.5336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0249 1.8811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6160 2.3894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7404 1.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7336 1.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4697 0.9269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3454 1.4502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3522 1.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5187 2.5336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1056 1.9437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8991 0.9143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2302 0.8227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4766 -0.5479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6470 -1.2237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 0 0 0 0
3 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 4 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
6 18 1 0 0 0 0
8 19 1 0 0 0 0
15 20 1 0 0 0 0
2 21 1 0 0 0 0
16 22 1 0 0 0 0
23 24 1 0 0 0 0
24 25 1 1 0 0 0
26 25 1 1 0 0 0
27 26 1 1 0 0 0
27 28 1 0 0 0 0
28 23 1 0 0 0 0
20 24 1 0 0 0 0
25 29 1 0 0 0 0
28 30 1 0 0 0 0
27 31 1 0 0 0 0
26 32 1 0 0 0 0
33 34 1 0 0 0 0
14 33 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 33 34
M SBL 1 1 37
M SMT 1 OCH3
M SBV 1 37 -0.7386 0.4502
S SKP 5
ID FL4DAHGS0001
FORMULA C22H24O12
EXACTMASS 480.126776232
AVERAGEMASS 480.41876
SMILES O(C)c(c2)c(c(cc(C(C3O)Oc(c4)c(c(O)cc4O)C3=O)2)O)OC(O1)C(C(C(O)C1C)O)O
M END
