Mol:FL5FAEGA0001
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | 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 |
| − | -2.7830 -0.0893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7830 -0.0893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7830 -0.7317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7830 -0.7317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2267 -1.0529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2267 -1.0529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6704 -0.7317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6704 -0.7317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6704 -0.0893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6704 -0.0893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2267 0.2318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2267 0.2318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1140 -1.0529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1140 -1.0529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5577 -0.7317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5577 -0.7317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5577 -0.0893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5577 -0.0893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1140 0.2318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1140 0.2318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1140 -1.5537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1140 -1.5537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0017 0.2317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0017 0.2317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5653 -0.0956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5653 -0.0956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1323 0.2317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1323 0.2317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1323 0.8864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1323 0.8864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5653 1.2138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5653 1.2138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0017 0.8864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0017 0.8864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0904 -1.2820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0904 -1.2820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1358 -0.7906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1358 -0.7906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7481 -1.4620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7481 -1.4620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4936 -1.2490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4936 -1.2490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2436 -1.4620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2436 -1.4620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6313 -0.7906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6313 -0.7906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8858 -1.0036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8858 -1.0036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4087 -0.9854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4087 -0.9854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1546 -0.5380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1546 -0.5380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3910 0.1062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3910 0.1062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2267 -1.6950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2267 -1.6950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3939 0.1092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3939 0.1092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5653 1.8683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5653 1.8683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6991 1.2137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6991 1.2137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4136 0.8012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4136 0.8012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6794 -1.4558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6794 -1.4558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3939 -1.8683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3939 -1.8683 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 |
| − | 3 28 1 0 0 0 0 | + | 3 28 1 0 0 0 0 |
| − | 1 29 1 0 0 0 0 | + | 1 29 1 0 0 0 0 |
| − | 16 30 1 0 0 0 0 | + | 16 30 1 0 0 0 0 |
| − | 15 31 1 0 0 0 0 | + | 15 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 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 SBV 1 34 -4.6251 5.7035 | + | M SBV 1 34 -4.6251 5.7035 |
| − | 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 SBV 2 36 -4.7561 5.3825 | + | M SBV 2 36 -4.7561 5.3825 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FAEGA0001 | + | ID FL5FAEGA0001 |
| − | KNApSAcK_ID C00005590 | + | KNApSAcK_ID C00005590 |
| − | NAME Tamarixetin 3-galactoside;Quercetin 4'-methyl ether 3-galactoside;3-(beta-D-Galactopyranosyloxy)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one | + | NAME Tamarixetin 3-galactoside;Quercetin 4'-methyl ether 3-galactoside;3-(beta-D-Galactopyranosyloxy)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one |
| − | CAS_RN 52305-25-6 | + | CAS_RN 52305-25-6 |
| − | FORMULA C22H22O12 | + | FORMULA C22H22O12 |
| − | EXACTMASS 478.111126168 | + | EXACTMASS 478.111126168 |
| − | AVERAGEMASS 478.40288000000004 | + | AVERAGEMASS 478.40288000000004 |
| − | SMILES Oc(c1)c(ccc1C(O3)=C(C(c(c4O)c3cc(c4)O)=O)OC(O2)C(O)C(C(C(CO)2)O)O)OC | + | SMILES Oc(c1)c(ccc1C(O3)=C(C(c(c4O)c3cc(c4)O)=O)OC(O2)C(O)C(C(C(CO)2)O)O)OC |
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
-2.7830 -0.0893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7830 -0.7317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2267 -1.0529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6704 -0.7317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6704 -0.0893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2267 0.2318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1140 -1.0529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5577 -0.7317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5577 -0.0893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1140 0.2318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1140 -1.5537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0017 0.2317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5653 -0.0956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1323 0.2317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1323 0.8864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5653 1.2138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0017 0.8864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0904 -1.2820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1358 -0.7906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7481 -1.4620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4936 -1.2490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2436 -1.4620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6313 -0.7906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8858 -1.0036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4087 -0.9854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1546 -0.5380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3910 0.1062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2267 -1.6950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3939 0.1092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5653 1.8683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6991 1.2137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4136 0.8012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6794 -1.4558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3939 -1.8683 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
3 28 1 0 0 0 0
1 29 1 0 0 0 0
16 30 1 0 0 0 0
15 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 1 SUP
M SLB 1 1 1
M SAL 1 2 31 32
M SBL 1 1 34
M SMT 1 OCH3
M SBV 1 34 -4.6251 5.7035
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 SBV 2 36 -4.7561 5.3825
S SKP 8
ID FL5FAEGA0001
KNApSAcK_ID C00005590
NAME Tamarixetin 3-galactoside;Quercetin 4'-methyl ether 3-galactoside;3-(beta-D-Galactopyranosyloxy)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one
CAS_RN 52305-25-6
FORMULA C22H22O12
EXACTMASS 478.111126168
AVERAGEMASS 478.40288000000004
SMILES Oc(c1)c(ccc1C(O3)=C(C(c(c4O)c3cc(c4)O)=O)OC(O2)C(O)C(C(C(CO)2)O)O)OC
M END
