Mol:FL5FCCGA0001
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 |
| − | -0.1662 -5.1909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1662 -5.1909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4664 -5.0794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4664 -5.0794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6861 -4.4757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6861 -4.4757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2732 -3.9837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2732 -3.9837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3594 -4.0952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3594 -4.0952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5791 -4.6988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5791 -4.6988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4929 -3.3800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4929 -3.3800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0800 -2.8880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0800 -2.8880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5526 -2.9995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5526 -2.9995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7723 -3.6031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7723 -3.6031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9860 -3.2930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9860 -3.2930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9654 -2.5076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9654 -2.5076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7415 -1.8925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7415 -1.8925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1623 -1.3909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1623 -1.3909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8070 -1.5046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8070 -1.5046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0309 -2.1199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0309 -2.1199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6101 -2.6213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6101 -2.6213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5094 -2.1542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5094 -2.1542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9600 -0.8037 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 0.9600 -0.8037 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 0.5724 -1.4751 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 0.5724 -1.4751 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 1.3178 -1.2621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3178 -1.2621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0678 -1.4751 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 2.0678 -1.4751 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 2.4555 -0.8037 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 2.4555 -0.8037 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 1.7100 -1.0167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 1.7100 -1.0167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 0.2329 -0.9985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2329 -0.9985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9788 -0.5511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9788 -0.5511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2347 0.0205 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2347 0.0205 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2277 -1.0033 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2277 -1.0033 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3183 -4.3642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3183 -4.3642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6754 -2.2335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6754 -2.2335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7135 -5.6502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7135 -5.6502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4795 -6.2931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4795 -6.2931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6015 -1.4426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6015 -1.4426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3160 -1.8551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3160 -1.8551 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 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 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 21 1 1 0 0 0 | + | 20 21 1 1 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 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 |
| − | 24 26 1 0 0 0 0 | + | 24 26 1 0 0 0 0 |
| − | 23 27 1 0 0 0 0 | + | 23 27 1 0 0 0 0 |
| − | 20 18 1 0 0 0 0 | + | 20 18 1 0 0 0 0 |
| − | 18 8 1 0 0 0 0 | + | 18 8 1 0 0 0 0 |
| − | 22 21 1 1 0 0 0 | + | 22 21 1 1 0 0 0 |
| − | 15 28 1 0 0 0 0 | + | 15 28 1 0 0 0 0 |
| − | 3 29 1 0 0 0 0 | + | 3 29 1 0 0 0 0 |
| − | 16 30 1 0 0 0 0 | + | 16 30 1 0 0 0 0 |
| − | 1 31 1 0 0 0 0 | + | 1 31 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | 22 33 1 0 0 0 0 | + | 22 33 1 0 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 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 33 34 | + | M SAL 2 2 33 34 |
| − | M SBL 2 1 36 | + | M SBL 2 1 36 |
| − | M SMT 2 CH2OH | + | M SMT 2 CH2OH |
| − | M SVB 2 36 2.6015 -1.4426 | + | M SVB 2 36 2.6015 -1.4426 |
| − | 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 34 | + | M SBL 1 1 34 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 34 -3.316 0.5163 | + | M SVB 1 34 -3.316 0.5163 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FCCGA0001 | + | ID FL5FCCGA0001 |
| − | KNApSAcK_ID C00005505 | + | KNApSAcK_ID C00005505 |
| − | NAME Rhamnetin 3-galactoside | + | NAME Rhamnetin 3-galactoside |
| − | CAS_RN 38975-81-4 | + | CAS_RN 38975-81-4 |
| − | FORMULA C22H22O12 | + | FORMULA C22H22O12 |
| − | EXACTMASS 478.111126168 | + | EXACTMASS 478.111126168 |
| − | AVERAGEMASS 478.40288000000004 | + | AVERAGEMASS 478.40288000000004 |
| − | SMILES c(c(C(O3)=C(C(=O)c(c4O)c3cc(c4)OC)O[C@H](O2)C(O)C([C@H]([C@@H](CO)2)O)O)1)cc(c(c1)O)O | + | SMILES c(c(C(O3)=C(C(=O)c(c4O)c3cc(c4)OC)O[C@H](O2)C(O)C([C@H]([C@@H](CO)2)O)O)1)cc(c(c1)O)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/
34 37 0 0 0 0 0 0 0 0999 V2000
-0.1662 -5.1909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4664 -5.0794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6861 -4.4757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2732 -3.9837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3594 -4.0952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5791 -4.6988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4929 -3.3800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0800 -2.8880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5526 -2.9995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7723 -3.6031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9860 -3.2930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9654 -2.5076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7415 -1.8925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1623 -1.3909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8070 -1.5046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0309 -2.1199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6101 -2.6213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5094 -2.1542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9600 -0.8037 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.5724 -1.4751 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
1.3178 -1.2621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0678 -1.4751 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.4555 -0.8037 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
1.7100 -1.0167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.2329 -0.9985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9788 -0.5511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2347 0.0205 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2277 -1.0033 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3183 -4.3642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6754 -2.2335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7135 -5.6502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4795 -6.2931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6015 -1.4426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3160 -1.8551 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 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
19 20 1 0 0 0 0
20 21 1 1 0 0 0
23 22 1 1 0 0 0
23 24 1 0 0 0 0
24 19 1 0 0 0 0
19 25 1 0 0 0 0
24 26 1 0 0 0 0
23 27 1 0 0 0 0
20 18 1 0 0 0 0
18 8 1 0 0 0 0
22 21 1 1 0 0 0
15 28 1 0 0 0 0
3 29 1 0 0 0 0
16 30 1 0 0 0 0
1 31 1 0 0 0 0
31 32 1 0 0 0 0
22 33 1 0 0 0 0
33 34 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 33 34
M SBL 2 1 36
M SMT 2 CH2OH
M SVB 2 36 2.6015 -1.4426
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 31 32
M SBL 1 1 34
M SMT 1 OCH3
M SVB 1 34 -3.316 0.5163
S SKP 8
ID FL5FCCGA0001
KNApSAcK_ID C00005505
NAME Rhamnetin 3-galactoside
CAS_RN 38975-81-4
FORMULA C22H22O12
EXACTMASS 478.111126168
AVERAGEMASS 478.40288000000004
SMILES c(c(C(O3)=C(C(=O)c(c4O)c3cc(c4)OC)O[C@H](O2)C(O)C([C@H]([C@@H](CO)2)O)O)1)cc(c(c1)O)O
M END
