Mol:FL3FFCGS0011
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 |
| − | -0.0942 -0.1253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0942 -0.1253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0942 -0.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0942 -0.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3568 -0.9478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3568 -0.9478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8079 -0.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8079 -0.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8079 -0.1666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8079 -0.1666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3568 0.0939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3568 0.0939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2590 -0.9478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2590 -0.9478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7100 -0.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7100 -0.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7100 -0.1666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7100 -0.1666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2590 0.0939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2590 0.0939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4307 -1.3157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4307 -1.3157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1609 0.0938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1609 0.0938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6207 -0.1717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6207 -0.1717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0804 0.0938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0804 0.0938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0804 0.6246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0804 0.6246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6207 0.8900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6207 0.8900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1609 0.6246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1609 0.6246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3568 -1.4676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3568 -1.4676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5471 0.1736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5471 0.1736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3568 0.6723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3568 0.6723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0804 0.6246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0804 0.6246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0730 -0.0145 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | -3.0730 -0.0145 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | -2.5574 -0.6951 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -2.5574 -0.6951 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -1.8149 -0.4064 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -1.8149 -0.4064 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -1.0985 -0.3986 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -1.0985 -0.3986 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -1.6191 0.1221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6191 0.1221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3775 -0.1502 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -2.3775 -0.1502 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -3.6495 -0.3473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6495 -0.3473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3612 -0.7342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3612 -0.7342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3895 -1.1205 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3895 -1.1205 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8883 1.4676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8883 1.4676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3087 2.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3087 2.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9866 0.4566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9866 0.4566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0585 1.2785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0585 1.2785 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 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 6 20 1 0 0 0 0 | + | 6 20 1 0 0 0 0 |
| − | 21 15 1 0 0 0 0 | + | 21 15 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 19 1 0 0 0 0 | + | 25 19 1 0 0 0 0 |
| − | 16 31 1 0 0 0 0 | + | 16 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 -2.6731 0.6572 | + | M SVB 2 36 -2.6731 0.6572 |
| − | 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 2.8883 1.4676 | + | M SVB 1 34 2.8883 1.4676 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FFCGS0011 | + | ID FL3FFCGS0011 |
| − | KNApSAcK_ID C00004429 | + | KNApSAcK_ID C00004429 |
| − | NAME 8-Hydroxyluteolin 3'-methyl ether 7-glucoside | + | NAME 8-Hydroxyluteolin 3'-methyl ether 7-glucoside |
| − | CAS_RN 71149-63-8 | + | CAS_RN 71149-63-8 |
| − | FORMULA C22H22O12 | + | FORMULA C22H22O12 |
| − | EXACTMASS 478.111126168 | + | EXACTMASS 478.111126168 |
| − | AVERAGEMASS 478.40288000000004 | + | AVERAGEMASS 478.40288000000004 |
| − | SMILES O[C@@H]([C@H]1O)[C@H](Oc(c2)c(c(O3)c(C(=O)C=C3c(c4)cc(c(c4)O)OC)c(O)2)O)OC(CO)[C@@H]1O | + | SMILES O[C@@H]([C@H]1O)[C@H](Oc(c2)c(c(O3)c(C(=O)C=C3c(c4)cc(c(c4)O)OC)c(O)2)O)OC(CO)[C@@H]1O |
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
-0.0942 -0.1253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0942 -0.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3568 -0.9478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8079 -0.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8079 -0.1666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3568 0.0939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2590 -0.9478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7100 -0.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7100 -0.1666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2590 0.0939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4307 -1.3157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1609 0.0938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6207 -0.1717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0804 0.0938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0804 0.6246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6207 0.8900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1609 0.6246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3568 -1.4676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5471 0.1736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3568 0.6723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0804 0.6246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0730 -0.0145 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.5574 -0.6951 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.8149 -0.4064 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.0985 -0.3986 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.6191 0.1221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3775 -0.1502 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-3.6495 -0.3473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3612 -0.7342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3895 -1.1205 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8883 1.4676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3087 2.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9866 0.4566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0585 1.2785 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
3 18 1 0 0 0 0
1 19 1 0 0 0 0
6 20 1 0 0 0 0
21 15 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 19 1 0 0 0 0
16 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 -2.6731 0.6572
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 2.8883 1.4676
S SKP 8
ID FL3FFCGS0011
KNApSAcK_ID C00004429
NAME 8-Hydroxyluteolin 3'-methyl ether 7-glucoside
CAS_RN 71149-63-8
FORMULA C22H22O12
EXACTMASS 478.111126168
AVERAGEMASS 478.40288000000004
SMILES O[C@@H]([C@H]1O)[C@H](Oc(c2)c(c(O3)c(C(=O)C=C3c(c4)cc(c(c4)O)OC)c(O)2)O)OC(CO)[C@@H]1O
M END
