Mol:FL3FFCGSS003
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 37 40 0 0 0 0 0 0 0 0999 V2000 | + | 37 40 0 0 0 0 0 0 0 0999 V2000 |
| − | 1.7725 0.5203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7725 0.5203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7725 -0.3047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7725 -0.3047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4870 -0.7172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4870 -0.7172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2014 -0.3047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2014 -0.3047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2014 0.5203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2014 0.5203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4870 0.9328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4870 0.9328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0580 -0.7172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0580 -0.7172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3435 -0.3047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3435 -0.3047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3709 -0.7172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3709 -0.7172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3709 -1.5422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3709 -1.5422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3435 -1.9547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3435 -1.9547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0580 -1.5422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0580 -1.5422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0854 -0.3047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0854 -0.3047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7999 -0.7172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7999 -0.7172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7999 -1.5422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7999 -1.5422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0854 -1.9547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0854 -1.9547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3435 -2.6729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3435 -2.6729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5143 -0.3047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5143 -0.3047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0854 -2.6406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0854 -2.6406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9070 0.9219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9070 0.9219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8659 -0.6883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8659 -0.6883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0854 0.3497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0854 0.3497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3291 -0.3047 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3291 -0.3047 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3291 0.3514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3291 0.3514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3291 -0.9540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3291 -0.9540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9070 -0.3047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9070 -0.3047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0586 2.2672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0586 2.2672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1718 1.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1718 1.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4135 1.1249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4135 1.1249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9268 0.4588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9268 0.4588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8135 1.2760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8135 1.2760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5718 1.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5718 1.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3360 2.1598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3360 2.1598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5445 2.6729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5445 2.6729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7365 2.1826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7365 2.1826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3668 1.9298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3668 1.9298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9417 0.7253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9417 0.7253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 2 0 0 0 0 | + | 1 2 2 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 3 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
| − | 6 1 1 0 0 0 0 | + | 6 1 1 0 0 0 0 |
| − | 2 7 1 0 0 0 0 | + | 2 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 9 10 2 0 0 0 0 | + | 9 10 2 0 0 0 0 |
| − | 10 11 1 0 0 0 0 | + | 10 11 1 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 12 7 2 0 0 0 0 | + | 12 7 2 0 0 0 0 |
| − | 9 13 1 0 0 0 0 | + | 9 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 10 1 0 0 0 0 | + | 16 10 1 0 0 0 0 |
| − | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
| − | 11 17 2 0 0 0 0 | + | 11 17 2 0 0 0 0 |
| − | 16 19 1 0 0 0 0 | + | 16 19 1 0 0 0 0 |
| − | 5 20 1 0 0 0 0 | + | 5 20 1 0 0 0 0 |
| − | 4 21 1 0 0 0 0 | + | 4 21 1 0 0 0 0 |
| − | 13 22 1 0 0 0 0 | + | 13 22 1 0 0 0 0 |
| − | 18 23 1 0 0 0 0 | + | 18 23 1 0 0 0 0 |
| − | 23 24 2 0 0 0 0 | + | 23 24 2 0 0 0 0 |
| − | 23 25 2 0 0 0 0 | + | 23 25 2 0 0 0 0 |
| − | 23 26 1 0 0 0 0 | + | 23 26 1 0 0 0 0 |
| − | 27 28 1 1 0 0 0 | + | 27 28 1 1 0 0 0 |
| − | 28 29 1 1 0 0 0 | + | 28 29 1 1 0 0 0 |
| − | 30 29 1 1 0 0 0 | + | 30 29 1 1 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | 32 27 1 0 0 0 0 | + | 32 27 1 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
| − | 27 35 1 0 0 0 0 | + | 27 35 1 0 0 0 0 |
| − | 28 36 1 0 0 0 0 | + | 28 36 1 0 0 0 0 |
| − | 29 37 1 0 0 0 0 | + | 29 37 1 0 0 0 0 |
| − | 30 22 1 0 0 0 0 | + | 30 22 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FFCGSS003 | + | ID FL3FFCGSS003 |
| − | KNApSAcK_ID C00013701 | + | KNApSAcK_ID C00013701 |
| − | NAME Hypolaetin 7-sulfate-8-glucoside;8-Hydroxyluteolin 7-sulfate-8-glucoside;2-(3,4-Dihydroxyphenyl)-8-(beta-D-glucopyranosyloxy)-5-hydroxy-7-(sulfooxy)-4H-1-benzopyran-4-one | + | NAME Hypolaetin 7-sulfate-8-glucoside;8-Hydroxyluteolin 7-sulfate-8-glucoside;2-(3,4-Dihydroxyphenyl)-8-(beta-D-glucopyranosyloxy)-5-hydroxy-7-(sulfooxy)-4H-1-benzopyran-4-one |
| − | CAS_RN 215113-45-4 | + | CAS_RN 215113-45-4 |
| − | FORMULA C21H20O15S | + | FORMULA C21H20O15S |
| − | EXACTMASS 544.0522906599999 | + | EXACTMASS 544.0522906599999 |
| − | AVERAGEMASS 544.4404999999999 | + | AVERAGEMASS 544.4404999999999 |
| − | SMILES S(O)(=O)(=O)Oc(c(OC(C(O)4)OC(CO)C(O)C4O)1)cc(c(C(=O)3)c(OC(=C3)c(c2)cc(c(O)c2)O)1)O | + | SMILES S(O)(=O)(=O)Oc(c(OC(C(O)4)OC(CO)C(O)C4O)1)cc(c(C(=O)3)c(OC(=C3)c(c2)cc(c(O)c2)O)1)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/
37 40 0 0 0 0 0 0 0 0999 V2000
1.7725 0.5203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7725 -0.3047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4870 -0.7172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2014 -0.3047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2014 0.5203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4870 0.9328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0580 -0.7172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3435 -0.3047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3709 -0.7172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3709 -1.5422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3435 -1.9547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0580 -1.5422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0854 -0.3047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7999 -0.7172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7999 -1.5422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0854 -1.9547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3435 -2.6729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5143 -0.3047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0854 -2.6406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9070 0.9219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8659 -0.6883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0854 0.3497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3291 -0.3047 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
-3.3291 0.3514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3291 -0.9540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9070 -0.3047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0586 2.2672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1718 1.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4135 1.1249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9268 0.4588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8135 1.2760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5718 1.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3360 2.1598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5445 2.6729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7365 2.1826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3668 1.9298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9417 0.7253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 0 0 0 0
2 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
12 7 2 0 0 0 0
9 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 10 1 0 0 0 0
14 18 1 0 0 0 0
11 17 2 0 0 0 0
16 19 1 0 0 0 0
5 20 1 0 0 0 0
4 21 1 0 0 0 0
13 22 1 0 0 0 0
18 23 1 0 0 0 0
23 24 2 0 0 0 0
23 25 2 0 0 0 0
23 26 1 0 0 0 0
27 28 1 1 0 0 0
28 29 1 1 0 0 0
30 29 1 1 0 0 0
30 31 1 0 0 0 0
31 32 1 0 0 0 0
32 27 1 0 0 0 0
32 33 1 0 0 0 0
33 34 1 0 0 0 0
27 35 1 0 0 0 0
28 36 1 0 0 0 0
29 37 1 0 0 0 0
30 22 1 0 0 0 0
S SKP 8
ID FL3FFCGSS003
KNApSAcK_ID C00013701
NAME Hypolaetin 7-sulfate-8-glucoside;8-Hydroxyluteolin 7-sulfate-8-glucoside;2-(3,4-Dihydroxyphenyl)-8-(beta-D-glucopyranosyloxy)-5-hydroxy-7-(sulfooxy)-4H-1-benzopyran-4-one
CAS_RN 215113-45-4
FORMULA C21H20O15S
EXACTMASS 544.0522906599999
AVERAGEMASS 544.4404999999999
SMILES S(O)(=O)(=O)Oc(c(OC(C(O)4)OC(CO)C(O)C4O)1)cc(c(C(=O)3)c(OC(=C3)c(c2)cc(c(O)c2)O)1)O
M END
