Mol:FL3FECGS0032
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 35 38 0 0 0 0 0 0 0 0999 V2000 | + | 35 38 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.2025 0.4857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2025 0.4857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2025 -0.0764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2025 -0.0764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2486 -0.3368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2486 -0.3368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6996 -0.0764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6996 -0.0764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6996 0.4445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6996 0.4445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2486 0.7049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2486 0.7049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1507 -0.3368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1507 -0.3368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6017 -0.0764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6017 -0.0764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6017 0.4445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6017 0.4445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1507 0.7049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1507 0.7049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3224 -0.7047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3224 -0.7047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0526 0.7048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0526 0.7048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5124 0.4394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5124 0.4394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9721 0.7048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9721 0.7048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9721 1.2356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9721 1.2356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5124 1.5010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5124 1.5010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0526 1.2356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0526 1.2356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2486 -0.8566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2486 -0.8566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5388 0.9617 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5388 0.9617 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7101 -0.5839 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7101 -0.5839 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8796 -0.9584 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | -2.8796 -0.9584 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | -2.3639 -1.6391 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -2.3639 -1.6391 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -1.6214 -1.3503 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -1.6214 -1.3503 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -0.9050 -1.3426 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -0.9050 -1.3426 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -1.4256 -0.8218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4256 -0.8218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0752 -1.1647 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -2.0752 -1.1647 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -1.9636 -0.5379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9636 -0.5379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5934 -1.3705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5934 -1.3705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1677 -1.6782 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1677 -1.6782 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1960 -2.0645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1960 -2.0645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0917 -0.1858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0917 -0.1858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5435 1.1325 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5435 1.1325 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0099 2.0171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0099 2.0171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2488 2.0635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2488 2.0635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1768 2.8853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1768 2.8853 0.0000 C 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 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 19 15 1 0 0 0 0 | + | 19 15 1 0 0 0 0 |
| − | 2 20 1 0 0 0 0 | + | 2 20 1 0 0 0 0 |
| − | 21 22 1 1 0 0 0 | + | 21 22 1 1 0 0 0 |
| − | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
| − | 24 23 1 1 0 0 0 | + | 24 23 1 1 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 21 1 0 0 0 0 | + | 26 21 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 21 28 1 0 0 0 0 | + | 21 28 1 0 0 0 0 |
| − | 22 29 1 0 0 0 0 | + | 22 29 1 0 0 0 0 |
| − | 23 30 1 0 0 0 0 | + | 23 30 1 0 0 0 0 |
| − | 31 27 1 0 0 0 0 | + | 31 27 1 0 0 0 0 |
| − | 24 20 1 0 0 0 0 | + | 24 20 1 0 0 0 0 |
| − | 1 32 1 0 0 0 0 | + | 1 32 1 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | 16 34 1 0 0 0 0 | + | 16 34 1 0 0 0 0 |
| − | 34 35 1 0 0 0 0 | + | 34 35 1 0 0 0 0 |
| − | M STY 1 3 SUP | + | M STY 1 3 SUP |
| − | M SLB 1 3 3 | + | M SLB 1 3 3 |
| − | M SAL 3 2 27 31 | + | M SAL 3 2 27 31 |
| − | M SBL 3 1 29 | + | M SBL 3 1 29 |
| − | M SMT 3 CH2OH | + | M SMT 3 CH2OH |
| − | M SVB 3 29 -2.3433 -0.5872 | + | M SVB 3 29 -2.3433 -0.5872 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 34 35 | + | M SAL 2 2 34 35 |
| − | M SBL 2 1 37 | + | M SBL 2 1 37 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 37 2.7738 2.0645 | + | M SVB 2 37 2.7738 2.0645 |
| − | 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 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 35 -0.5435 1.1325 | + | M SVB 1 35 -0.5435 1.1325 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FECGS0032 | + | ID FL3FECGS0032 |
| − | KNApSAcK_ID C00004415 | + | KNApSAcK_ID C00004415 |
| − | NAME 6-Hydroxyluteolin 7,3'-dimethyl ether 6-glucoside | + | NAME 6-Hydroxyluteolin 7,3'-dimethyl ether 6-glucoside |
| − | CAS_RN 60032-93-1 | + | CAS_RN 60032-93-1 |
| − | FORMULA C23H24O12 | + | FORMULA C23H24O12 |
| − | EXACTMASS 492.126776232 | + | EXACTMASS 492.126776232 |
| − | AVERAGEMASS 492.42946 | + | AVERAGEMASS 492.42946 |
| − | SMILES c(c4O)(cc(cc4)C(=C3)Oc(c(C3=O)1)cc(c(O[C@H](O2)[C@@H](O)[C@H]([C@H](C(CO)2)O)O)c1O)OC)OC | + | SMILES c(c4O)(cc(cc4)C(=C3)Oc(c(C3=O)1)cc(c(O[C@H](O2)[C@@H](O)[C@H]([C@H](C(CO)2)O)O)c1O)OC)OC |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
35 38 0 0 0 0 0 0 0 0999 V2000
-0.2025 0.4857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2025 -0.0764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2486 -0.3368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6996 -0.0764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6996 0.4445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2486 0.7049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1507 -0.3368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6017 -0.0764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6017 0.4445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1507 0.7049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3224 -0.7047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0526 0.7048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5124 0.4394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9721 0.7048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9721 1.2356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5124 1.5010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0526 1.2356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2486 -0.8566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5388 0.9617 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7101 -0.5839 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8796 -0.9584 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.3639 -1.6391 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.6214 -1.3503 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.9050 -1.3426 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.4256 -0.8218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0752 -1.1647 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-1.9636 -0.5379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5934 -1.3705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1677 -1.6782 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1960 -2.0645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0917 -0.1858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5435 1.1325 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0099 2.0171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2488 2.0635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1768 2.8853 0.0000 C 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
3 18 1 0 0 0 0
19 15 1 0 0 0 0
2 20 1 0 0 0 0
21 22 1 1 0 0 0
22 23 1 1 0 0 0
24 23 1 1 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
26 27 1 0 0 0 0
21 28 1 0 0 0 0
22 29 1 0 0 0 0
23 30 1 0 0 0 0
31 27 1 0 0 0 0
24 20 1 0 0 0 0
1 32 1 0 0 0 0
32 33 1 0 0 0 0
16 34 1 0 0 0 0
34 35 1 0 0 0 0
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 27 31
M SBL 3 1 29
M SMT 3 CH2OH
M SVB 3 29 -2.3433 -0.5872
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 34 35
M SBL 2 1 37
M SMT 2 OCH3
M SVB 2 37 2.7738 2.0645
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 32 33
M SBL 1 1 35
M SMT 1 OCH3
M SVB 1 35 -0.5435 1.1325
S SKP 8
ID FL3FECGS0032
KNApSAcK_ID C00004415
NAME 6-Hydroxyluteolin 7,3'-dimethyl ether 6-glucoside
CAS_RN 60032-93-1
FORMULA C23H24O12
EXACTMASS 492.126776232
AVERAGEMASS 492.42946
SMILES c(c4O)(cc(cc4)C(=C3)Oc(c(C3=O)1)cc(c(O[C@H](O2)[C@@H](O)[C@H]([C@H](C(CO)2)O)O)c1O)OC)OC
M END
