Mol:FL3FEAGS0016
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 |
| − | -0.5180 -0.0267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5180 -0.0267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5181 -0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5181 -0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1831 -1.2411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1831 -1.2411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8842 -0.8363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8842 -0.8363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8843 -0.0267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8843 -0.0267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1831 0.3781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1831 0.3781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5853 -1.2410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5853 -1.2410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2864 -0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2864 -0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2865 -0.0266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2865 -0.0266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5853 0.3782 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5853 0.3782 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5853 -2.0062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5853 -2.0062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9873 0.3780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9873 0.3780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7018 -0.0345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7018 -0.0345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4165 0.3780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4165 0.3780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4164 1.2030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4164 1.2030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7019 1.6155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7019 1.6155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9874 1.2029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9874 1.2029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2190 0.3780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2190 0.3780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.1308 1.6156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.1308 1.6156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1831 -1.9863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1831 -1.9863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3805 0.9946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3805 0.9946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8961 0.0498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8961 0.0498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9245 0.2430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9245 0.2430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0454 0.0979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0454 0.0979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5706 0.8479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5706 0.8479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5581 0.6782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5581 0.6782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.0951 0.8339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.0951 0.8339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.6606 0.3185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.6606 0.3185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2263 -0.4359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2263 -0.4359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1205 1.3808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1205 1.3808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.1308 1.5589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.1308 1.5589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4610 2.1667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4610 2.1667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1673 -1.2110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1673 -1.2110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3930 -2.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3930 -2.1667 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 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 15 19 1 0 0 0 0 | + | 15 19 1 0 0 0 0 |
| − | 20 3 1 0 0 0 0 | + | 20 3 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 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 |
| − | 22 28 1 0 0 0 0 | + | 22 28 1 0 0 0 0 |
| − | 23 29 1 0 0 0 0 | + | 23 29 1 0 0 0 0 |
| − | 24 18 1 0 0 0 0 | + | 24 18 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 |
| − | 26 30 1 0 0 0 0 | + | 26 30 1 0 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
| − | 2 33 1 0 0 0 0 | + | 2 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 3 30 31 32 | + | M SAL 1 3 30 31 32 |
| − | M SBL 1 1 35 | + | M SBL 1 1 35 |
| − | M SMT 1 ^ COOH | + | M SMT 1 ^ COOH |
| − | M SBV 1 35 0.5624 -0.7025 | + | M SBV 1 35 0.5624 -0.7025 |
| − | 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 0.6492 0.3748 | + | M SBV 2 37 0.6492 0.3748 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FEAGS0016 | + | ID FL3FEAGS0016 |
| − | FORMULA C22H20O12 | + | FORMULA C22H20O12 |
| − | EXACTMASS 476.095476104 | + | EXACTMASS 476.095476104 |
| − | AVERAGEMASS 476.387 | + | AVERAGEMASS 476.387 |
| − | SMILES COc(c(OC(O4)C(O)C(C(O)C4C(O)=O)O)3)c(O)c(C(=O)1)c(c3)OC(c(c2)ccc(c2)O)=C1 | + | SMILES COc(c(OC(O4)C(O)C(C(O)C4C(O)=O)O)3)c(O)c(C(=O)1)c(c3)OC(c(c2)ccc(c2)O)=C1 |
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
-0.5180 -0.0267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5181 -0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1831 -1.2411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8842 -0.8363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8843 -0.0267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1831 0.3781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5853 -1.2410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2864 -0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2865 -0.0266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5853 0.3782 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5853 -2.0062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9873 0.3780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7018 -0.0345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4165 0.3780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4164 1.2030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7019 1.6155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9874 1.2029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2190 0.3780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1308 1.6156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1831 -1.9863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3805 0.9946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8961 0.0498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9245 0.2430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0454 0.0979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5706 0.8479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5581 0.6782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0951 0.8339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6606 0.3185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2263 -0.4359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1205 1.3808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1308 1.5589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4610 2.1667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1673 -1.2110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3930 -2.1667 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
1 18 1 0 0 0 0
15 19 1 0 0 0 0
20 3 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 26 1 0 0 0 0
26 21 1 0 0 0 0
21 27 1 0 0 0 0
22 28 1 0 0 0 0
23 29 1 0 0 0 0
24 18 1 0 0 0 0
30 31 2 0 0 0 0
30 32 1 0 0 0 0
26 30 1 0 0 0 0
33 34 1 0 0 0 0
2 33 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 3 30 31 32
M SBL 1 1 35
M SMT 1 ^ COOH
M SBV 1 35 0.5624 -0.7025
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 0.6492 0.3748
S SKP 5
ID FL3FEAGS0016
FORMULA C22H20O12
EXACTMASS 476.095476104
AVERAGEMASS 476.387
SMILES COc(c(OC(O4)C(O)C(C(O)C4C(O)=O)O)3)c(O)c(C(=O)1)c(c3)OC(c(c2)ccc(c2)O)=C1
M END
