Mol:FL3FECNSS008
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 28 30 0 0 0 0 0 0 0 0999 V2000 | + | 28 30 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.1095 -0.2107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1095 -0.2107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1095 -0.7728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1095 -0.7728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6584 -1.0332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6584 -1.0332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2074 -0.7728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2074 -0.7728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2074 -0.2519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2074 -0.2519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6584 0.0085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6584 0.0085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2437 -1.0332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2437 -1.0332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6948 -0.7728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6948 -0.7728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6948 -0.2519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6948 -0.2519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2437 0.0085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2437 0.0085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4154 -1.4011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4154 -1.4011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1457 0.0084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1457 0.0084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6054 -0.2570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6054 -0.2570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0651 0.0084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0651 0.0084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0651 0.5392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0651 0.5392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6054 0.8047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6054 0.8047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1457 0.5392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1457 0.5392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6584 -1.5529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6584 -1.5529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0651 0.5392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0651 0.5392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6243 0.3099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6243 0.3099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6243 0.9680 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6243 0.9680 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1084 0.9680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1084 0.9680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6243 1.5529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6243 1.5529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3057 0.9680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3057 0.9680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8668 -1.3868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8668 -1.3868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5813 -0.9743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5813 -0.9743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8668 1.3681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8668 1.3681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2877 2.2752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2877 2.2752 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 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 22 2 0 0 0 0 | + | 21 22 2 0 0 0 0 |
| − | 21 23 1 0 0 0 0 | + | 21 23 1 0 0 0 0 |
| − | 21 24 2 0 0 0 0 | + | 21 24 2 0 0 0 0 |
| − | 1 20 1 0 0 0 0 | + | 1 20 1 0 0 0 0 |
| − | 2 25 1 0 0 0 0 | + | 2 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 16 27 1 0 0 0 0 | + | 16 27 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 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 27 28 | + | M SAL 2 2 27 28 |
| − | M SBL 2 1 29 | + | M SBL 2 1 29 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 29 1.8668 1.3681 | + | M SVB 2 29 1.8668 1.3681 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 25 26 | + | M SAL 1 2 25 26 |
| − | M SBL 1 1 27 | + | M SBL 1 1 27 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 27 -1.8668 -1.3868 | + | M SVB 1 27 -1.8668 -1.3868 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FECNSS008 | + | ID FL3FECNSS008 |
| − | KNApSAcK_ID C00004411 | + | KNApSAcK_ID C00004411 |
| − | NAME 6-Hydroxyluteolin 6,3'-dimethyl ether 7-sulfate | + | NAME 6-Hydroxyluteolin 6,3'-dimethyl ether 7-sulfate |
| − | CAS_RN 111509-46-7 | + | CAS_RN 111509-46-7 |
| − | FORMULA C17H14O10S | + | FORMULA C17H14O10S |
| − | EXACTMASS 410.030767358 | + | EXACTMASS 410.030767358 |
| − | AVERAGEMASS 410.35306 | + | AVERAGEMASS 410.35306 |
| − | SMILES COc(c(O)3)cc(cc3)C(=C2)Oc(c1)c(C(=O)2)c(O)c(OC)c1OS(O)(=O)=O | + | SMILES COc(c(O)3)cc(cc3)C(=C2)Oc(c1)c(C(=O)2)c(O)c(OC)c1OS(O)(=O)=O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
28 30 0 0 0 0 0 0 0 0999 V2000
-1.1095 -0.2107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1095 -0.7728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6584 -1.0332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2074 -0.7728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2074 -0.2519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6584 0.0085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2437 -1.0332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6948 -0.7728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6948 -0.2519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2437 0.0085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4154 -1.4011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1457 0.0084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6054 -0.2570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0651 0.0084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0651 0.5392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6054 0.8047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1457 0.5392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6584 -1.5529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0651 0.5392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6243 0.3099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6243 0.9680 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
-1.1084 0.9680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6243 1.5529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3057 0.9680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8668 -1.3868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5813 -0.9743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8668 1.3681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2877 2.2752 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
20 21 1 0 0 0 0
21 22 2 0 0 0 0
21 23 1 0 0 0 0
21 24 2 0 0 0 0
1 20 1 0 0 0 0
2 25 1 0 0 0 0
25 26 1 0 0 0 0
16 27 1 0 0 0 0
27 28 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 27 28
M SBL 2 1 29
M SMT 2 OCH3
M SVB 2 29 1.8668 1.3681
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 25 26
M SBL 1 1 27
M SMT 1 OCH3
M SVB 1 27 -1.8668 -1.3868
S SKP 8
ID FL3FECNSS008
KNApSAcK_ID C00004411
NAME 6-Hydroxyluteolin 6,3'-dimethyl ether 7-sulfate
CAS_RN 111509-46-7
FORMULA C17H14O10S
EXACTMASS 410.030767358
AVERAGEMASS 410.35306
SMILES COc(c(O)3)cc(cc3)C(=C2)Oc(c1)c(C(=O)2)c(O)c(OC)c1OS(O)(=O)=O
M END
