Mol:FL3FECGS0012
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 33 36 0 0 0 0 0 0 0 0999 V2000 | + | 33 36 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.2979 -0.1797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2979 -0.1797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2979 -0.7005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2979 -0.7005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1532 -0.9609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1532 -0.9609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6042 -0.7005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6042 -0.7005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6042 -0.1797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6042 -0.1797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1532 0.0808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1532 0.0808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0553 -0.9609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0553 -0.9609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5064 -0.7005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5064 -0.7005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5064 -0.1797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5064 -0.1797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0553 0.0808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0553 0.0808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2270 -1.3288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2270 -1.3288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9573 0.0807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9573 0.0807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4170 -0.1848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4170 -0.1848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8767 0.0807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8767 0.0807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8767 0.6115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8767 0.6115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4170 0.8769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4170 0.8769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9573 0.6115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9573 0.6115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4170 1.4807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4170 1.4807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4669 0.9523 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4669 0.9523 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1532 -1.4807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1532 -1.4807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7480 0.0802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7480 0.0802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7480 -0.9604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7480 -0.9604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1787 0.0900 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | -3.1787 0.0900 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | -2.6631 -0.5907 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -2.6631 -0.5907 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -1.9206 -0.3019 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -1.9206 -0.3019 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -1.2041 -0.2942 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -1.2041 -0.2942 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -1.7248 0.2266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7248 0.2266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4832 -0.0458 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -2.4832 -0.0458 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -3.9445 0.5321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9445 0.5321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4669 -0.6298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4669 -0.6298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4952 -1.0161 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4952 -1.0161 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4914 0.5654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4914 0.5654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5047 1.5653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5047 1.5653 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 |
| − | 16 18 1 0 0 0 0 | + | 16 18 1 0 0 0 0 |
| − | 19 15 1 0 0 0 0 | + | 19 15 1 0 0 0 0 |
| − | 3 20 1 0 0 0 0 | + | 3 20 1 0 0 0 0 |
| − | 1 21 1 0 0 0 0 | + | 1 21 1 0 0 0 0 |
| − | 2 22 1 0 0 0 0 | + | 2 22 1 0 0 0 0 |
| − | 23 24 1 1 0 0 0 | + | 23 24 1 1 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 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 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 |
| − | 23 29 1 0 0 0 0 | + | 23 29 1 0 0 0 0 |
| − | 24 30 1 0 0 0 0 | + | 24 30 1 0 0 0 0 |
| − | 25 31 1 0 0 0 0 | + | 25 31 1 0 0 0 0 |
| − | 26 21 1 0 0 0 0 | + | 26 21 1 0 0 0 0 |
| − | 28 32 1 0 0 0 0 | + | 28 32 1 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 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 32 33 | + | M SAL 1 2 32 33 |
| − | M SBL 1 1 35 | + | M SBL 1 1 35 |
| − | M SMT 1 CH2OH | + | M SMT 1 CH2OH |
| − | M SVB 1 35 -2.2323 0.5116 | + | M SVB 1 35 -2.2323 0.5116 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FECGS0012 | + | ID FL3FECGS0012 |
| − | KNApSAcK_ID C00004387 | + | KNApSAcK_ID C00004387 |
| − | NAME 6-Hydroxyluteolin 7-galactoside | + | NAME 6-Hydroxyluteolin 7-galactoside |
| − | CAS_RN 37769-54-3 | + | CAS_RN 37769-54-3 |
| − | FORMULA C21H20O12 | + | FORMULA C21H20O12 |
| − | EXACTMASS 464.095476104 | + | EXACTMASS 464.095476104 |
| − | AVERAGEMASS 464.37629999999996 | + | AVERAGEMASS 464.37629999999996 |
| − | SMILES [C@@H]([C@@H]1Oc(c2O)cc(O3)c(C(=O)C=C3c(c4)cc(c(O)c4)O)c2O)(O)[C@@H](O)[C@@H](O)C(O1)CO | + | SMILES [C@@H]([C@@H]1Oc(c2O)cc(O3)c(C(=O)C=C3c(c4)cc(c(O)c4)O)c2O)(O)[C@@H](O)[C@@H](O)C(O1)CO |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
33 36 0 0 0 0 0 0 0 0999 V2000
-0.2979 -0.1797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2979 -0.7005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1532 -0.9609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6042 -0.7005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6042 -0.1797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1532 0.0808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0553 -0.9609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5064 -0.7005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5064 -0.1797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0553 0.0808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2270 -1.3288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9573 0.0807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4170 -0.1848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8767 0.0807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8767 0.6115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4170 0.8769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9573 0.6115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4170 1.4807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4669 0.9523 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1532 -1.4807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7480 0.0802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7480 -0.9604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1787 0.0900 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.6631 -0.5907 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.9206 -0.3019 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.2041 -0.2942 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.7248 0.2266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4832 -0.0458 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-3.9445 0.5321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4669 -0.6298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4952 -1.0161 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4914 0.5654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5047 1.5653 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
16 18 1 0 0 0 0
19 15 1 0 0 0 0
3 20 1 0 0 0 0
1 21 1 0 0 0 0
2 22 1 0 0 0 0
23 24 1 1 0 0 0
24 25 1 1 0 0 0
26 25 1 1 0 0 0
26 27 1 0 0 0 0
27 28 1 0 0 0 0
28 23 1 0 0 0 0
23 29 1 0 0 0 0
24 30 1 0 0 0 0
25 31 1 0 0 0 0
26 21 1 0 0 0 0
28 32 1 0 0 0 0
32 33 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 32 33
M SBL 1 1 35
M SMT 1 CH2OH
M SVB 1 35 -2.2323 0.5116
S SKP 8
ID FL3FECGS0012
KNApSAcK_ID C00004387
NAME 6-Hydroxyluteolin 7-galactoside
CAS_RN 37769-54-3
FORMULA C21H20O12
EXACTMASS 464.095476104
AVERAGEMASS 464.37629999999996
SMILES [C@@H]([C@@H]1Oc(c2O)cc(O3)c(C(=O)C=C3c(c4)cc(c(O)c4)O)c2O)(O)[C@@H](O)[C@@H](O)C(O1)CO
M END
