Mol:FL3FECGS0025
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 |
| − | -0.3379 0.4912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3379 0.4912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3379 -0.0709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3379 -0.0709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1132 -0.3313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1132 -0.3313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5642 -0.0709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5642 -0.0709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5642 0.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5642 0.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1132 0.7104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1132 0.7104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0153 -0.3313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0153 -0.3313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4663 -0.0709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4663 -0.0709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4663 0.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4663 0.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0153 0.7104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0153 0.7104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1870 -0.6992 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1870 -0.6992 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9172 0.7103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9172 0.7103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3770 0.4449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3770 0.4449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8367 0.7103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8367 0.7103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8367 1.2411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8367 1.2411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3770 1.5066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3770 1.5066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9172 1.2411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9172 1.2411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3770 2.1103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3770 2.1103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4269 1.5819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4269 1.5819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1132 -0.8510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1132 -0.8510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7880 -0.3307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7880 -0.3307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1387 -1.0043 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | -3.1387 -1.0043 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | -2.6231 -1.6849 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -2.6231 -1.6849 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -1.8806 -1.3961 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -1.8806 -1.3961 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -1.1641 -1.3884 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -1.1641 -1.3884 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -1.6847 -0.8677 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6847 -0.8677 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3343 -1.2105 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -2.3343 -1.2105 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -2.9246 -0.2052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9246 -0.2052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4269 -1.7240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4269 -1.7240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4551 -2.1103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4551 -2.1103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6852 1.1273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6852 1.1273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1644 2.0050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1644 2.0050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5911 -0.6095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5911 -0.6095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3089 0.1657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3089 0.1657 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 |
| − | 2 21 1 0 0 0 0 | + | 2 21 1 0 0 0 0 |
| − | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
| − | 23 24 1 1 0 0 0 | + | 23 24 1 1 0 0 0 |
| − | 25 24 1 1 0 0 0 | + | 25 24 1 1 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 22 1 0 0 0 0 | + | 27 22 1 0 0 0 0 |
| − | 22 28 1 0 0 0 0 | + | 22 28 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 21 1 0 0 0 0 | + | 25 21 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 |
| − | 27 33 1 0 0 0 0 | + | 27 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 -2.039 -0.6275 | + | M SVB 2 36 -2.039 -0.6275 |
| − | 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 -0.6852 1.1273 | + | M SVB 1 34 -0.6852 1.1273 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FECGS0025 | + | ID FL3FECGS0025 |
| − | KNApSAcK_ID C00004404 | + | KNApSAcK_ID C00004404 |
| − | NAME 6-Hydroxyluteolin 7-methyl ether 6-galactoside | + | NAME 6-Hydroxyluteolin 7-methyl ether 6-galactoside |
| − | CAS_RN 76449-91-7 | + | CAS_RN 76449-91-7 |
| − | FORMULA C22H22O12 | + | FORMULA C22H22O12 |
| − | EXACTMASS 478.111126168 | + | EXACTMASS 478.111126168 |
| − | AVERAGEMASS 478.40288000000004 | + | AVERAGEMASS 478.40288000000004 |
| − | SMILES C(C(=O)4)=C(Oc(c42)cc(c(O[C@H](O3)[C@@H](O)[C@H]([C@H](C(CO)3)O)O)c2O)OC)c(c1)ccc(c1O)O | + | SMILES C(C(=O)4)=C(Oc(c42)cc(c(O[C@H](O3)[C@@H](O)[C@H]([C@H](C(CO)3)O)O)c2O)OC)c(c1)ccc(c1O)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
-0.3379 0.4912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3379 -0.0709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1132 -0.3313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5642 -0.0709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5642 0.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1132 0.7104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0153 -0.3313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4663 -0.0709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4663 0.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0153 0.7104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1870 -0.6992 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9172 0.7103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3770 0.4449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8367 0.7103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8367 1.2411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3770 1.5066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9172 1.2411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3770 2.1103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4269 1.5819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1132 -0.8510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7880 -0.3307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1387 -1.0043 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.6231 -1.6849 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.8806 -1.3961 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.1641 -1.3884 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.6847 -0.8677 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3343 -1.2105 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-2.9246 -0.2052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4269 -1.7240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4551 -2.1103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6852 1.1273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1644 2.0050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5911 -0.6095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3089 0.1657 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
2 21 1 0 0 0 0
22 23 1 1 0 0 0
23 24 1 1 0 0 0
25 24 1 1 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
27 22 1 0 0 0 0
22 28 1 0 0 0 0
23 29 1 0 0 0 0
24 30 1 0 0 0 0
25 21 1 0 0 0 0
1 31 1 0 0 0 0
31 32 1 0 0 0 0
27 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 -2.039 -0.6275
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 -0.6852 1.1273
S SKP 8
ID FL3FECGS0025
KNApSAcK_ID C00004404
NAME 6-Hydroxyluteolin 7-methyl ether 6-galactoside
CAS_RN 76449-91-7
FORMULA C22H22O12
EXACTMASS 478.111126168
AVERAGEMASS 478.40288000000004
SMILES C(C(=O)4)=C(Oc(c42)cc(c(O[C@H](O3)[C@@H](O)[C@H]([C@H](C(CO)3)O)O)c2O)OC)c(c1)ccc(c1O)O
M END
