Mol:FL3FECGS0023
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 |
| − | -0.4301 1.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4301 1.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0828 1.6395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0828 1.6395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2609 2.1289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2609 2.1289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0739 2.5279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0739 2.5279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5867 2.4374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5867 2.4374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7650 1.9480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7650 1.9480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1043 3.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1043 3.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2305 3.4164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2305 3.4164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7434 3.3259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7434 3.3259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9216 2.8364 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9216 2.8364 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4368 3.2503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4368 3.2503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0782 3.7248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0782 3.7248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8965 4.2236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8965 4.2236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2378 4.6302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2378 4.6302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7605 4.5380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7605 4.5380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9421 4.0392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9421 4.0392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6009 3.6326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6009 3.6326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5367 3.9344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5367 3.9344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1987 5.0601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1987 5.0601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7728 2.2192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7728 2.2192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9549 0.9337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9549 0.9337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1734 0.4698 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | -3.1734 0.4698 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | -2.6578 -0.2108 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -2.6578 -0.2108 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -1.9153 0.0780 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -1.9153 0.0780 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -1.1988 0.0857 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -1.1988 0.0857 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -1.7194 0.6064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7194 0.6064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3690 0.2636 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -2.3690 0.2636 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -3.8872 0.0577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8872 0.0577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4616 -0.2499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4616 -0.2499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9764 -0.7511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9764 -0.7511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6253 1.1502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6253 1.1502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3675 0.4804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3675 0.4804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5721 1.1635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5721 1.1635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5270 1.4606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5270 1.4606 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 |
| − | 21 1 1 0 0 0 0 | + | 21 1 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 |
| − | 2 31 1 0 0 0 0 | + | 2 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 -2.5721 1.1635 | + | M SVB 2 36 -2.5721 1.1635 |
| − | 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 -0.5921 -0.5479 | + | M SVB 1 34 -0.5921 -0.5479 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FECGS0023 | + | ID FL3FECGS0023 |
| − | KNApSAcK_ID C00004400 | + | KNApSAcK_ID C00004400 |
| − | NAME 6-Methoxyluteolin 7-glucoside | + | NAME 6-Methoxyluteolin 7-glucoside |
| − | CAS_RN 569-90-4 | + | CAS_RN 569-90-4 |
| − | FORMULA C22H22O12 | + | FORMULA C22H22O12 |
| − | EXACTMASS 478.111126168 | + | EXACTMASS 478.111126168 |
| − | AVERAGEMASS 478.40288000000004 | + | AVERAGEMASS 478.40288000000004 |
| − | SMILES COc(c3O[C@@H]([C@@H](O)4)OC(CO)[C@@H]([C@@H]4O)O)c(c(c2c3)C(=O)C=C(O2)c(c1)ccc(c1O)O)O | + | SMILES COc(c3O[C@@H]([C@@H](O)4)OC(CO)[C@@H]([C@@H]4O)O)c(c(c2c3)C(=O)C=C(O2)c(c1)ccc(c1O)O)O |
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
-0.4301 1.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0828 1.6395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2609 2.1289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0739 2.5279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5867 2.4374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7650 1.9480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1043 3.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2305 3.4164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7434 3.3259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9216 2.8364 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4368 3.2503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0782 3.7248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8965 4.2236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2378 4.6302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7605 4.5380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9421 4.0392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6009 3.6326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5367 3.9344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1987 5.0601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7728 2.2192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9549 0.9337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1734 0.4698 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.6578 -0.2108 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.9153 0.0780 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.1988 0.0857 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.7194 0.6064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3690 0.2636 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-3.8872 0.0577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4616 -0.2499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9764 -0.7511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6253 1.1502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3675 0.4804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5721 1.1635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5270 1.4606 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
21 1 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
2 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 -2.5721 1.1635
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 -0.5921 -0.5479
S SKP 8
ID FL3FECGS0023
KNApSAcK_ID C00004400
NAME 6-Methoxyluteolin 7-glucoside
CAS_RN 569-90-4
FORMULA C22H22O12
EXACTMASS 478.111126168
AVERAGEMASS 478.40288000000004
SMILES COc(c3O[C@@H]([C@@H](O)4)OC(CO)[C@@H]([C@@H]4O)O)c(c(c2c3)C(=O)C=C(O2)c(c1)ccc(c1O)O)O
M END
