Mol:FLIAECGS0007
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 39 0 0 0 0 0 0 0 0999 V2000 | + | 35 39 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.5917 0.9663 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5917 0.9663 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0354 0.6452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0354 0.6452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4791 0.9663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4791 0.9663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0770 0.6453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0770 0.6453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0770 -0.0207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0770 -0.0207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6537 -0.3537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6537 -0.3537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2304 -0.0207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2304 -0.0207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2304 0.6453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2304 0.6453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6537 0.9783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6537 0.9783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0352 0.0032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0352 0.0032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4791 -0.3179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4791 -0.3179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6537 -1.0192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6537 -1.0192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8068 -0.3534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8068 -0.3534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8068 -0.9901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8068 -0.9901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3581 -1.3084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3581 -1.3084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9095 -0.9901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9095 -0.9901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9095 -0.3534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9095 -0.3534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3581 -0.0351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3581 -0.0351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6956 0.7626 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | -3.6956 0.7626 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | -3.3494 0.3055 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -3.3494 0.3055 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -2.8508 0.4994 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -2.8508 0.4994 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -2.3312 0.4937 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -2.3312 0.4937 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -2.7193 0.8543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7193 0.8543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2286 0.6714 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -3.2286 0.6714 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -4.6664 1.0026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.6664 1.0026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8892 0.2793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8892 0.2793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5651 0.0199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5651 0.0199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4896 -0.9586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4896 -0.9586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5150 -1.1868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5150 -1.1868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8892 -0.6717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8892 -0.6717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5150 -0.1567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5150 -0.1567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7497 0.0952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7497 0.0952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7497 -0.7298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7497 -0.7298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1668 1.0175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1668 1.0175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3361 2.0031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3361 2.0031 0.0000 O 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 7 1 0 0 0 0 | + | 6 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 4 1 0 0 0 0 | + | 9 4 1 0 0 0 0 |
| − | 2 10 1 0 0 0 0 | + | 2 10 1 0 0 0 0 |
| − | 10 11 2 0 0 0 0 | + | 10 11 2 0 0 0 0 |
| − | 11 5 1 0 0 0 0 | + | 11 5 1 0 0 0 0 |
| − | 6 12 2 0 0 0 0 | + | 6 12 2 0 0 0 0 |
| − | 7 13 1 0 0 0 0 | + | 7 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 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 17 18 2 0 0 0 0 | + | 17 18 2 0 0 0 0 |
| − | 18 13 1 0 0 0 0 | + | 18 13 1 0 0 0 0 |
| − | 19 20 1 1 0 0 0 | + | 19 20 1 1 0 0 0 |
| − | 20 21 1 1 0 0 0 | + | 20 21 1 1 0 0 0 |
| − | 22 21 1 1 0 0 0 | + | 22 21 1 1 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 19 1 0 0 0 0 | + | 24 19 1 0 0 0 0 |
| − | 19 25 1 0 0 0 0 | + | 19 25 1 0 0 0 0 |
| − | 20 26 1 0 0 0 0 | + | 20 26 1 0 0 0 0 |
| − | 21 27 1 0 0 0 0 | + | 21 27 1 0 0 0 0 |
| − | 22 1 1 0 0 0 0 | + | 22 1 1 0 0 0 0 |
| − | 11 28 1 0 0 0 0 | + | 11 28 1 0 0 0 0 |
| − | 16 29 1 0 0 0 0 | + | 16 29 1 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | 31 17 1 0 0 0 0 | + | 31 17 1 0 0 0 0 |
| − | 10 32 1 0 0 0 0 | + | 10 32 1 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | 24 34 1 0 0 0 0 | + | 24 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 38 | + | M SBL 2 1 38 |
| − | M SMT 2 CH2OH | + | M SMT 2 CH2OH |
| − | M SVB 2 38 -2.5797 0.9703 | + | M SVB 2 38 -2.5797 0.9703 |
| − | 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 36 | + | M SBL 1 1 36 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 36 -1.7497 0.0952 | + | M SVB 1 36 -1.7497 0.0952 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIAECGS0007 | + | ID FLIAECGS0007 |
| − | KNApSAcK_ID C00010150 | + | KNApSAcK_ID C00010150 |
| − | NAME Dalspinin 7-O-galactoside | + | NAME Dalspinin 7-O-galactoside |
| − | CAS_RN 98568-73-1 | + | CAS_RN 98568-73-1 |
| − | FORMULA C23H22O12 | + | FORMULA C23H22O12 |
| − | EXACTMASS 490.111126168 | + | EXACTMASS 490.111126168 |
| − | AVERAGEMASS 490.41358 | + | AVERAGEMASS 490.41358 |
| − | SMILES COc(c4O[C@@H]([C@@H](O)5)OC(CO)[C@@H]([C@@H]5O)O)c(c(C1=O)c(c4)OC=C1c(c3)cc(O2)c(c3)OC2)O | + | SMILES COc(c4O[C@@H]([C@@H](O)5)OC(CO)[C@@H]([C@@H]5O)O)c(c(C1=O)c(c4)OC=C1c(c3)cc(O2)c(c3)OC2)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 39 0 0 0 0 0 0 0 0999 V2000
-1.5917 0.9663 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0354 0.6452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4791 0.9663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0770 0.6453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0770 -0.0207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6537 -0.3537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2304 -0.0207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2304 0.6453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6537 0.9783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0352 0.0032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4791 -0.3179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6537 -1.0192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8068 -0.3534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8068 -0.9901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3581 -1.3084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9095 -0.9901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9095 -0.3534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3581 -0.0351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6956 0.7626 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.3494 0.3055 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.8508 0.4994 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.3312 0.4937 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.7193 0.8543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2286 0.6714 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-4.6664 1.0026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8892 0.2793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5651 0.0199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4896 -0.9586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5150 -1.1868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8892 -0.6717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5150 -0.1567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7497 0.0952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7497 -0.7298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1668 1.0175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3361 2.0031 0.0000 O 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 7 1 0 0 0 0
7 8 2 0 0 0 0
8 9 1 0 0 0 0
9 4 1 0 0 0 0
2 10 1 0 0 0 0
10 11 2 0 0 0 0
11 5 1 0 0 0 0
6 12 2 0 0 0 0
7 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 17 1 0 0 0 0
17 18 2 0 0 0 0
18 13 1 0 0 0 0
19 20 1 1 0 0 0
20 21 1 1 0 0 0
22 21 1 1 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
24 19 1 0 0 0 0
19 25 1 0 0 0 0
20 26 1 0 0 0 0
21 27 1 0 0 0 0
22 1 1 0 0 0 0
11 28 1 0 0 0 0
16 29 1 0 0 0 0
29 30 1 0 0 0 0
30 31 1 0 0 0 0
31 17 1 0 0 0 0
10 32 1 0 0 0 0
32 33 1 0 0 0 0
24 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 38
M SMT 2 CH2OH
M SVB 2 38 -2.5797 0.9703
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 32 33
M SBL 1 1 36
M SMT 1 OCH3
M SVB 1 36 -1.7497 0.0952
S SKP 8
ID FLIAECGS0007
KNApSAcK_ID C00010150
NAME Dalspinin 7-O-galactoside
CAS_RN 98568-73-1
FORMULA C23H22O12
EXACTMASS 490.111126168
AVERAGEMASS 490.41358
SMILES COc(c4O[C@@H]([C@@H](O)5)OC(CO)[C@@H]([C@@H]5O)O)c(c(C1=O)c(c4)OC=C1c(c3)cc(O2)c(c3)OC2)O
M END
