Mol:FL5FECGS0021
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 35 38 0 0 0 0 0 0 0 0999 V2000 | + | 35 38 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.9539 0.8264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9539 0.8264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9539 0.1840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9539 0.1840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3976 -0.1372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3976 -0.1372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8413 0.1840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8413 0.1840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8413 0.8264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8413 0.8264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3976 1.1475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3976 1.1475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2850 -0.1372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2850 -0.1372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2713 0.1840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2713 0.1840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2713 0.8264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2713 0.8264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2850 1.1475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2850 1.1475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2850 -0.6380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2850 -0.6380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8274 1.1474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8274 1.1474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3944 0.8201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3944 0.8201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9614 1.1474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9614 1.1474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9614 1.8021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9614 1.8021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3944 2.1295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3944 2.1295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8274 1.8021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8274 1.8021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7954 -0.7237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7954 -0.7237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3976 -0.7793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3976 -0.7793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5953 2.1681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5953 2.1681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3944 2.7840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3944 2.7840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6192 -1.8556 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 1.6192 -1.8556 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 2.2474 -2.2183 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 2.2474 -2.2183 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 2.0481 -1.5208 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 2.0481 -1.5208 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 2.2474 -0.8190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2474 -0.8190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6192 -0.4563 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 1.6192 -0.4563 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 1.8185 -1.1538 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 1.8185 -1.1538 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 2.5889 -1.1538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5889 -1.1538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7806 -2.4578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7806 -2.4578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0959 -2.7840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0959 -2.7840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6683 -1.8789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6683 -1.8789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3111 1.4451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3111 1.4451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8111 2.3111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8111 2.3111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6416 0.3981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6416 0.3981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4634 0.3261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4634 0.3261 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 |
| − | 8 18 1 0 0 0 0 | + | 8 18 1 0 0 0 0 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 20 15 1 0 0 0 0 | + | 20 15 1 0 0 0 0 |
| − | 16 21 1 0 0 0 0 | + | 16 21 1 0 0 0 0 |
| − | 23 22 1 1 0 0 0 | + | 23 22 1 1 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 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 27 1 1 0 0 0 | + | 26 27 1 1 0 0 0 |
| − | 27 22 1 1 0 0 0 | + | 27 22 1 1 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 22 29 1 0 0 0 0 | + | 22 29 1 0 0 0 0 |
| − | 23 30 1 0 0 0 0 | + | 23 30 1 0 0 0 0 |
| − | 24 31 1 0 0 0 0 | + | 24 31 1 0 0 0 0 |
| − | 26 18 1 0 0 0 0 | + | 26 18 1 0 0 0 0 |
| − | 1 32 1 0 0 0 0 | + | 1 32 1 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | 2 34 1 0 0 0 0 | + | 2 34 1 0 0 0 0 |
| − | 34 35 1 0 0 0 0 | + | 34 35 1 0 0 0 0 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 34 35 | + | M SAL 2 2 34 35 |
| − | M SBL 2 1 37 | + | M SBL 2 1 37 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 37 -2.6683 0.2754 | + | M SVB 2 37 -2.6683 0.2754 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 32 33 | + | M SAL 1 2 32 33 |
| − | M SBL 1 1 35 | + | M SBL 1 1 35 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 35 -2.3111 1.4451 | + | M SVB 1 35 -2.3111 1.4451 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FECGS0021 | + | ID FL5FECGS0021 |
| − | KNApSAcK_ID C00005665 | + | KNApSAcK_ID C00005665 |
| − | NAME Eupatolin | + | NAME Eupatolin |
| − | CAS_RN 29725-50-6 | + | CAS_RN 29725-50-6 |
| − | FORMULA C23H24O12 | + | FORMULA C23H24O12 |
| − | EXACTMASS 492.126776232 | + | EXACTMASS 492.126776232 |
| − | AVERAGEMASS 492.42946 | + | AVERAGEMASS 492.42946 |
| − | SMILES C(=C(c(c4)cc(c(O)c4)O)3)(C(=O)c(c2O)c(O3)cc(c2OC)OC)O[C@@H](O1)[C@@H](O)[C@@H]([C@H](O)C(C)1)O | + | SMILES C(=C(c(c4)cc(c(O)c4)O)3)(C(=O)c(c2O)c(O3)cc(c2OC)OC)O[C@@H](O1)[C@@H](O)[C@@H]([C@H](O)C(C)1)O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
35 38 0 0 0 0 0 0 0 0999 V2000
-1.9539 0.8264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9539 0.1840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3976 -0.1372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8413 0.1840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8413 0.8264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3976 1.1475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2850 -0.1372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2713 0.1840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2713 0.8264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2850 1.1475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2850 -0.6380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8274 1.1474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3944 0.8201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9614 1.1474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9614 1.8021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3944 2.1295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8274 1.8021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7954 -0.7237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3976 -0.7793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5953 2.1681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3944 2.7840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6192 -1.8556 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
2.2474 -2.2183 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.0481 -1.5208 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
2.2474 -0.8190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6192 -0.4563 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
1.8185 -1.1538 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.5889 -1.1538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7806 -2.4578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0959 -2.7840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6683 -1.8789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3111 1.4451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8111 2.3111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6416 0.3981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4634 0.3261 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
8 18 1 0 0 0 0
3 19 1 0 0 0 0
20 15 1 0 0 0 0
16 21 1 0 0 0 0
23 22 1 1 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 27 1 1 0 0 0
27 22 1 1 0 0 0
27 28 1 0 0 0 0
22 29 1 0 0 0 0
23 30 1 0 0 0 0
24 31 1 0 0 0 0
26 18 1 0 0 0 0
1 32 1 0 0 0 0
32 33 1 0 0 0 0
2 34 1 0 0 0 0
34 35 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 34 35
M SBL 2 1 37
M SMT 2 OCH3
M SVB 2 37 -2.6683 0.2754
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 32 33
M SBL 1 1 35
M SMT 1 OCH3
M SVB 1 35 -2.3111 1.4451
S SKP 8
ID FL5FECGS0021
KNApSAcK_ID C00005665
NAME Eupatolin
CAS_RN 29725-50-6
FORMULA C23H24O12
EXACTMASS 492.126776232
AVERAGEMASS 492.42946
SMILES C(=C(c(c4)cc(c(O)c4)O)3)(C(=O)c(c2O)c(O3)cc(c2OC)OC)O[C@@H](O1)[C@@H](O)[C@@H]([C@H](O)C(C)1)O
M END
